CID 69598

3-bromo-4-fluorobenzoyl chloride

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1C(=O)Cl)Br)F

InChI

InChI=1S/C7H3BrClFO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H

InChIKey

HPHZOCIBMCWXCQ-UHFFFAOYSA-N

Compound name

3-bromo-4-fluorobenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 235.90398 Da
Monoisotopic Mass: 3.2
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]+	236.91126	134.5
[M+Na]+	258.89320	148.8
[M-H]-	234.89670	140.2
[M+NH4]+	253.93780	157.1
[M+K]+	274.86714	136.2
[M+H-H2O]+	218.90124	135.5
[M+HCOO]-	280.90218	151.3
[M+CH3COO]-	294.91783	186.4
[M+Na-2H]-	256.87865	141.4
[M]+	235.90343	153.9
[M]-	235.90453	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe