CID 2761452

(2-bromophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H6BrClO2S
SMILES
C1=CC=C(C(=C1)CS(=O)(=O)Cl)Br
InChI
InChI=1S/C7H6BrClO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2
InChIKey
RDRCWHIGMBAULL-UHFFFAOYSA-N
Compound name
(2-bromophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

267.89603 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.90331 135.2
[M+Na]+ 290.88525 149.8
[M-H]- 266.88875 142.7
[M+NH4]+ 285.92985 157.3
[M+K]+ 306.85919 136.5
[M+H-H2O]+ 250.89329 137.4
[M+HCOO]- 312.89423 148.2
[M+CH3COO]- 326.90988 187.1
[M+Na-2H]- 288.87070 142.8
[M]+ 267.89548 158.2
[M]- 267.89658 158.2
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

patents stripe