CID 138989362

2172064-48-9

Structural Information

Molecular Formula

C₇H₅BrClFO₂S

SMILES

CC1=CC(=CC(=C1S(=O)(=O)Cl)F)Br

InChI

InChI=1S/C7H5BrClFO2S/c1-4-2-5(8)3-6(10)7(4)13(9,11)12/h2-3H,1H3

InChIKey

RLTFGPOYENAQGW-UHFFFAOYSA-N

Compound name

4-bromo-2-fluoro-6-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.88663 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]+	286.893906	136.6
[M+Na]+	308.875848	152.6
[M-H]-	284.879354	143.3
[M+NH4]+	303.920453	158.4
[M+K]+	324.849788	138.9
[M+H-H2O]+	268.883890	138.0
[M+HCOO]-	330.884831	148.4
[M+CH3COO]-	344.900481	191.7
[M+Na-2H]-	306.861296	142.4
[M]+	285.88608142	159.2
[M]-	285.88717858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.