CID 54772467

1018656-49-9

Structural Information

Molecular Formula
C6H11ClO4S2
SMILES
C1CS(=O)(=O)CC1CCS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO4S2/c7-13(10,11)4-2-6-1-3-12(8,9)5-6/h6H,1-5H2
InChIKey
RZKLKQRKAJQACM-UHFFFAOYSA-N
Compound name
2-(1,1-dioxothiolan-3-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.97873 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98601 148.1
[M+Na]+ 268.96795 157.7
[M-H]- 244.97145 152.0
[M+NH4]+ 264.01255 170.5
[M+K]+ 284.94189 153.5
[M+H-H2O]+ 228.97599 146.0
[M+HCOO]- 290.97693 156.0
[M+CH3COO]- 304.99258 181.6
[M+Na-2H]- 266.95340 150.1
[M]+ 245.97818 152.8
[M]- 245.97928 152.8
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.