CID 11471072

2-bromo-5-nitrobenzoyl chloride

Structural Information

Molecular Formula

C₇H₃BrClNO₃

SMILES

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

InChI

InChI=1S/C7H3BrClNO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H

InChIKey

ZXJNUFQVJRBJJY-UHFFFAOYSA-N

Compound name

2-bromo-5-nitrobenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 262.89847 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]+	263.90575	144.0
[M+Na]+	285.88769	148.8
[M+NH4]+	280.93229	148.8
[M+K]+	301.86163	151.0
[M-H]-	261.89119	145.3
[M+Na-2H]-	283.87314	147.2
[M]+	262.89792	144.0
[M]-	262.89902	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe