CID 54596108

4-chloro-3-methanesulfonylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H6Cl2O4S2
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H6Cl2O4S2/c1-14(10,11)7-4-5(15(9,12)13)2-3-6(7)8/h2-4H,1H3
InChIKey
VVUIJEISLYEVOO-UHFFFAOYSA-N
Compound name
4-chloro-3-methylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.90845 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.91573 151.8
[M+Na]+ 310.89767 163.0
[M-H]- 286.90117 156.5
[M+NH4]+ 305.94227 169.6
[M+K]+ 326.87161 157.0
[M+H-H2O]+ 270.90571 149.1
[M+HCOO]- 332.90665 155.2
[M+CH3COO]- 346.92230 190.3
[M+Na-2H]- 308.88312 155.2
[M]+ 287.90790 158.8
[M]- 287.90900 158.8
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.