CID 72214957

1393557-65-7

Structural Information

Molecular Formula

C₇H₄BrClO₃S

SMILES

C1=C(C=C(C=C1S(=O)(=O)Cl)Br)C=O

InChI

InChI=1S/C7H4BrClO3S/c8-6-1-5(4-10)2-7(3-6)13(9,11)12/h1-4H

InChIKey

VWDYSDWYBCPNOT-UHFFFAOYSA-N

Compound name

3-bromo-5-formylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.8753 Da
Monoisotopic Mass: 2.1
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]+	282.88258	136.9
[M+Na]+	304.86452	141.1
[M+NH4]+	299.90912	141.6
[M+K]+	320.83846	140.3
[M-H]-	280.86802	136.5
[M+Na-2H]-	302.84997	140.6
[M]+	281.87475	136.9
[M]-	281.87585	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.