CID 7396

4-bromobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H4BrClO2S
SMILES
C1=CC(=CC=C1S(=O)(=O)Cl)Br
InChI
InChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
InChIKey
KMMHZIBWCXYAAH-UHFFFAOYSA-N
Compound name
4-bromobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

7415
Patents

253.88039 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.88767 130.5
[M+Na]+ 276.86961 135.0
[M+NH4]+ 271.91421 136.1
[M+K]+ 292.84355 133.8
[M-H]- 252.87311 130.7
[M+Na-2H]- 274.85506 135.0
[M]+ 253.87984 130.7
[M]- 253.88094 130.7
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