CID 12091

4-nitrobenzamide

Structural Information

Molecular Formula
C7H6N2O3
SMILES
C1=CC(=CC=C1C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
InChIKey
ZESWUEBPRPGMTP-UHFFFAOYSA-N
Compound name
4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1974
Patents

166.03784 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 129.4
[M+Na]+ 189.02706 136.5
[M-H]- 165.03056 133.0
[M+NH4]+ 184.07166 148.4
[M+K]+ 205.00100 131.3
[M+H-H2O]+ 149.03510 128.2
[M+HCOO]- 211.03604 155.6
[M+CH3COO]- 225.05169 173.3
[M+Na-2H]- 187.01251 136.9
[M]+ 166.03729 126.2
[M]- 166.03839 126.2
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