CID 76930

4'-nitrobenzanilide

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O3/c16-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)15(17)18/h1-9H,(H,14,16)
InChIKey
GMGQGZYFQSCZCW-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

173
Patents

242.06914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 150.6
[M+Na]+ 265.05836 156.0
[M-H]- 241.06186 157.3
[M+NH4]+ 260.10296 166.3
[M+K]+ 281.03230 149.1
[M+H-H2O]+ 225.06640 147.3
[M+HCOO]- 287.06734 176.8
[M+CH3COO]- 301.08299 187.5
[M+Na-2H]- 263.04381 158.6
[M]+ 242.06859 147.8
[M]- 242.06969 147.8
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