CID 22346782

4-bromo-2-methoxybenzoyl chloride

Structural Information

Molecular Formula

C₈H₆BrClO₂

SMILES

COC1=C(C=CC(=C1)Br)C(=O)Cl

InChI

InChI=1S/C8H6BrClO2/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3

InChIKey

MJJFPKWHYNJAKG-UHFFFAOYSA-N

Compound name

4-bromo-2-methoxybenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 247.92397 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]+	248.93125	139.2
[M+Na]+	270.91319	144.0
[M+NH4]+	265.95779	144.5
[M+K]+	286.88713	143.6
[M-H]-	246.91669	139.7
[M+Na-2H]-	268.89864	143.3
[M]+	247.92342	139.2
[M]-	247.92452	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe