CID 165942701

2703780-94-1

Structural Information

Molecular Formula
C7H4BrClO3S
SMILES
C1=CC(=C(C=C1Br)C=O)S(=O)(=O)Cl
InChI
InChI=1S/C7H4BrClO3S/c8-6-1-2-7(13(9,11)12)5(3-6)4-10/h1-4H
InChIKey
LIFHBEUNFDHOJJ-UHFFFAOYSA-N
Compound name
4-bromo-2-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.88258 136.0
[M+Na]+ 304.86452 151.3
[M-H]- 280.86802 143.7
[M+NH4]+ 299.90912 157.6
[M+K]+ 320.83846 138.0
[M+H-H2O]+ 264.87256 138.1
[M+HCOO]- 326.87350 149.2
[M+CH3COO]- 340.88915 189.2
[M+Na-2H]- 302.84997 143.1
[M]+ 281.87475 160.0
[M]- 281.87585 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.