CID 144342

N-benzylidene-4-nitroaniline

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10H
InChIKey
NYJOAZXGKLCRSV-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

226.07423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 147.9
[M+Na]+ 249.06345 154.2
[M-H]- 225.06695 155.9
[M+NH4]+ 244.10805 165.1
[M+K]+ 265.03739 147.1
[M+H-H2O]+ 209.07149 144.5
[M+HCOO]- 271.07243 176.3
[M+CH3COO]- 285.08808 187.6
[M+Na-2H]- 247.04890 157.3
[M]+ 226.07368 146.2
[M]- 226.07478 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe