CID 597109

3-nitroformanilide

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: 120
Patents: 166.03784 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.04512	130.0
[M+Na]+	189.02706	142.6
[M+NH4]+	184.07166	138.0
[M+K]+	205.00100	139.5
[M-H]-	165.03056	133.4
[M+Na-2H]-	187.01251	136.9
[M]+	166.03729	132.5
[M]-	166.03839	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe