CID 1679

3-nitrosobenzamide

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1=CC(=CC(=C1)N=O)C(=O)N

InChI

InChI=1S/C7H6N2O2/c8-7(10)5-2-1-3-6(4-5)9-11/h1-4H,(H2,8,10)

InChIKey

OZUBORKYZRYLSQ-UHFFFAOYSA-N

Compound name

3-nitrosobenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 229
Patents: 150.04292 Da
Monoisotopic Mass: 0.0
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]+	151.05020	128.2
[M+Na]+	173.03214	139.4
[M+NH4]+	168.07674	136.1
[M+K]+	189.00608	134.4
[M-H]-	149.03564	130.8
[M+Na-2H]-	171.01759	135.2
[M]+	150.04237	130.2
[M]-	150.04347	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe