CID 12404833

2-(benzenesulfonyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)CCS(=O)(=O)Cl
InChI
InChI=1S/C8H9ClO4S2/c9-15(12,13)7-6-14(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
DEGAJMGMZJLZPT-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

267.96307 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.970346 153.1
[M+Na]+ 290.952288 162.6
[M-H]- 266.955794 157.2
[M+NH4]+ 285.996893 170.8
[M+K]+ 306.926228 157.1
[M+H-H2O]+ 250.960330 148.8
[M+HCOO]- 312.961271 161.2
[M+CH3COO]- 326.976921 186.3
[M+Na-2H]- 288.937736 157.7
[M]+ 267.96252142 159.0
[M]- 267.96361858 159.0
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