CID 2756833

3-(2-bromoacetyl)benzenesulfonyl chloride

Structural Information

Molecular Formula

C₈H₆BrClO₃S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)Cl)C(=O)CBr

InChI

InChI=1S/C8H6BrClO3S/c9-5-8(11)6-2-1-3-7(4-6)14(10,12)13/h1-4H,5H2

InChIKey

PEELKXBLIYKZHI-UHFFFAOYSA-N

Compound name

3-(2-bromoacetyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.89096 Da
Monoisotopic Mass: 2.5
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]+	296.89824	139.9
[M+Na]+	318.88018	143.2
[M+NH4]+	313.92478	144.3
[M+K]+	334.85412	142.8
[M-H]-	294.88368	139.1
[M+Na-2H]-	316.86563	143.3
[M]+	295.89041	139.6
[M]-	295.89151	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe