CID 112756271

2-bromo-4-methanesulfonylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H6BrClO4S2
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C7H6BrClO4S2/c1-14(10,11)5-2-3-7(6(8)4-5)15(9,12)13/h2-4H,1H3
InChIKey
LFIDSHKZQDCWCO-UHFFFAOYSA-N
Compound name
2-bromo-4-methylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.85794 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.865216 140.8
[M+Na]+ 354.847158 155.9
[M-H]- 330.850664 148.4
[M+NH4]+ 349.891763 160.5
[M+K]+ 370.821098 141.7
[M+H-H2O]+ 314.855200 143.0
[M+HCOO]- 376.856141 147.8
[M+CH3COO]- 390.871791 195.2
[M+Na-2H]- 352.832606 147.8
[M]+ 331.85739142 165.1
[M]- 331.85848858 165.1
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

No patent data available for this compound.