CID 520403

2-bromobenzenesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2221
Patents

253.88039 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.887666 130.7
[M+Na]+ 276.869608 145.6
[M-H]- 252.873114 138.3
[M+NH4]+ 271.914213 153.3
[M+K]+ 292.843548 132.6
[M+H-H2O]+ 236.877650 133.0
[M+HCOO]- 298.878591 143.9
[M+CH3COO]- 312.894241 184.3
[M+Na-2H]- 274.855056 138.7
[M]+ 253.87984142 153.4
[M]- 253.88093858 153.4
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