CID 75243

3-nitrobenzophenone

Structural Information

Molecular Formula

C₁₃H₉NO₃

SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H9NO3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H

InChIKey

MFYLRNKOXORIPK-UHFFFAOYSA-N

Compound name

(3-nitrophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1041
Patents: 227.05824 Da
Monoisotopic Mass: 3.1
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]+	228.06552	147.0
[M+Na]+	250.04746	162.3
[M+NH4]+	245.09206	155.7
[M+K]+	266.02140	157.7
[M-H]-	226.05096	152.7
[M+Na-2H]-	248.03291	156.7
[M]+	227.05769	150.8
[M]-	227.05879	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe