CID 129959810

2-bromo-3-hydroxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H4BrClO3S
SMILES
C1=CC(=C(C(=C1)S(=O)(=O)Cl)Br)O
InChI
InChI=1S/C6H4BrClO3S/c7-6-4(9)2-1-3-5(6)12(8,10)11/h1-3,9H
InChIKey
AYBKNEIUKFTYBK-UHFFFAOYSA-N
Compound name
2-bromo-3-hydroxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.8753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.88258 133.3
[M+Na]+ 292.86452 148.3
[M-H]- 268.86802 139.8
[M+NH4]+ 287.90912 154.7
[M+K]+ 308.83846 134.8
[M+H-H2O]+ 252.87256 135.7
[M+HCOO]- 314.87350 145.2
[M+CH3COO]- 328.88915 184.8
[M+Na-2H]- 290.84997 140.4
[M]+ 269.87475 155.8
[M]- 269.87585 155.8
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.