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 153.1
[M+Na]+ 290.95229 162.6
[M-H]- 266.95579 157.2
[M+NH4]+ 285.99689 170.8
[M+K]+ 306.92623 157.1
[M+H-H2O]+ 250.96033 148.8
[M+HCOO]- 312.96127 161.2
[M+CH3COO]- 326.97692 186.3
[M+Na-2H]- 288.93774 157.7
[M]+ 267.96252 159.0
[M]- 267.96362 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