CID 13723643

N-(2-nitrophenyl)prop-2-enamide

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C=CC(=O)NC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O3/c1-2-9(12)10-7-5-3-4-6-8(7)11(13)14/h2-6H,1H2,(H,10,12)
InChIKey
OODUHVPBMHKUKK-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

548
Patents

192.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 138.4
[M+Na]+ 215.04272 150.3
[M+NH4]+ 210.08732 145.7
[M+K]+ 231.01666 147.5
[M-H]- 191.04622 141.3
[M+Na-2H]- 213.02817 144.3
[M]+ 192.05295 140.5
[M]- 192.05405 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe