CID 598764

(4-bromophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H6BrClO2S
SMILES
C1=CC(=CC=C1CS(=O)(=O)Cl)Br
InChI
InChI=1S/C7H6BrClO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2
InChIKey
ZWVWFWGJZPHCHF-UHFFFAOYSA-N
Compound name
(4-bromophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
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

literature stripe

Patent stripe

patents stripe