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

3
Patents

267.96307 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.97035 157.9
[M+Na]+ 290.95229 168.7
[M+NH4]+ 285.99689 165.0
[M+K]+ 306.92623 160.1
[M-H]- 266.95579 157.4
[M+Na-2H]- 288.93774 162.2
[M]+ 267.96252 160.5
[M]- 267.96362 160.5
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