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]+ 332.86522 140.8
[M+Na]+ 354.84716 155.9
[M-H]- 330.85066 148.4
[M+NH4]+ 349.89176 160.5
[M+K]+ 370.82110 141.7
[M+H-H2O]+ 314.85520 143.0
[M+HCOO]- 376.85614 147.8
[M+CH3COO]- 390.87179 195.2
[M+Na-2H]- 352.83261 147.8
[M]+ 331.85739 165.1
[M]- 331.85849 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.