CID 597109

N-(3-nitrophenyl)formamide

Structural Information

Molecular Formula
C7H6N2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC=O
InChI
InChI=1S/C7H6N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-5H,(H,8,10)
InChIKey
QCDUUALALDXTAD-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

166.03784 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.045116 129.0
[M+Na]+ 189.027058 136.3
[M-H]- 165.030564 133.1
[M+NH4]+ 184.071663 148.4
[M+K]+ 205.000998 131.0
[M+H-H2O]+ 149.035100 127.6
[M+HCOO]- 211.036041 156.8
[M+CH3COO]- 225.051691 173.4
[M+Na-2H]- 187.012506 138.7
[M]+ 166.03729142 127.4
[M]- 166.03838858 127.4
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