CID 131418546

2092099-08-4

Structural Information

Molecular Formula
C4H7ClO4S2
SMILES
C1C(CS1(=O)=O)CS(=O)(=O)Cl
InChI
InChI=1S/C4H7ClO4S2/c5-11(8,9)3-4-1-10(6,7)2-4/h4H,1-3H2
InChIKey
KSDALRIWYAVHGP-UHFFFAOYSA-N
Compound name
(1,1-dioxothietan-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.94743 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95471 127.4
[M+Na]+ 240.93665 134.5
[M-H]- 216.94015 130.7
[M+NH4]+ 235.98125 142.0
[M+K]+ 256.91059 133.6
[M+H-H2O]+ 200.94469 119.2
[M+HCOO]- 262.94563 134.4
[M+CH3COO]- 276.96128 181.0
[M+Na-2H]- 238.92210 131.3
[M]+ 217.94688 140.4
[M]- 217.94798 140.4
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.