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]+ 246.986006 148.1
[M+Na]+ 268.967948 157.7
[M-H]- 244.971454 152.0
[M+NH4]+ 264.012553 170.5
[M+K]+ 284.941888 153.5
[M+H-H2O]+ 228.975990 146.0
[M+HCOO]- 290.976931 156.0
[M+CH3COO]- 304.992581 181.6
[M+Na-2H]- 266.953396 150.1
[M]+ 245.97818142 152.8
[M]- 245.97927858 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.