CID 118591

2-chloro-5-nitrobenzophenone

Structural Information

Molecular Formula

C₁₃H₈ClNO₃

SMILES

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

InChI

InChI=1S/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H

InChIKey

HRPHZUAPQWJPCZ-UHFFFAOYSA-N

Compound name

(2-chloro-5-nitrophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 300
Patents: 261.01926 Da
Monoisotopic Mass: 3.7
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]+	262.02654	152.6
[M+Na]+	284.00848	169.1
[M+NH4]+	279.05308	161.6
[M+K]+	299.98242	163.8
[M-H]-	260.01198	158.4
[M+Na-2H]-	281.99393	162.2
[M]+	261.01871	157.0
[M]-	261.01981	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe