4-(2-Nitrophenyl)but-3-en-2-one
- Formula: C10H9NO3
- Molecular weight: 191.1834
- IUPAC Standard InChI: InChI=1S/C10H9NO3/c1-8(12)6-7-9-4-2-3-5-10(9)11(13)14/h2-7H,1H3/b7-6+
- IUPAC Standard InChIKey: FRPAGLRAZLFTGW-VOTSOKGWSA-N
- CAS Registry Number: 20766-40-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.0 | EI | Grutzmacher, Schaldach, et al., 1980 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C10H9O+ | 9.4 | NO2 | EI | Grutzmacher, Schaldach, et al., 1980 | LLK |
| C10H9O+ | 9.4 ± 0.2 | NO2 | EI | Schaldach and Grutzmacher, 1979 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-IW-5409 |
| NIST MS number | 242449 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Grutzmacher, Schaldach, et al., 1980
Grutzmacher, H.-F.; Schaldach, B.; Schubert, R.; Ramana, D.V.,
Ion kinetic energy release as a transition state probe in intramolecular aromatic substitutions,
Adv. Mass Spectrom., 1980, 8, 795. [all data]
Schaldach and Grutzmacher, 1979
Schaldach, B.; Grutzmacher, H.F.,
Kinetics energy release and position of the transition state during the intramolecular substitution of ionized benzalacetones,
Int. J. Mass Spectrom. Ion Phys., 1979, 31, 271. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.