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

108
Patents

267.89603 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.903306 135.2
[M+Na]+ 290.885248 149.8
[M-H]- 266.888754 142.7
[M+NH4]+ 285.929853 157.3
[M+K]+ 306.859188 136.5
[M+H-H2O]+ 250.893290 137.4
[M+HCOO]- 312.894231 148.2
[M+CH3COO]- 326.909881 187.1
[M+Na-2H]- 288.870696 142.8
[M]+ 267.89548142 158.2
[M]- 267.89657858 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