CID 137698757

2137896-67-2

Structural Information

Molecular Formula
C3H7NO3S2
SMILES
C1C(CS1(=O)=O)S(=O)N
InChI
InChI=1S/C3H7NO3S2/c4-8(5)3-1-9(6,7)2-3/h3H,1-2,4H2
InChIKey
ZSVROFPXJOTFRT-UHFFFAOYSA-N
Compound name
1,1-dioxothietane-3-sulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.98674 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.99402 124.7
[M+Na]+ 191.97596 129.7
[M-H]- 167.97946 126.9
[M+NH4]+ 187.02056 139.3
[M+K]+ 207.94990 130.4
[M+H-H2O]+ 151.98400 113.8
[M+HCOO]- 213.98494 135.8
[M+CH3COO]- 228.00059 177.8
[M+Na-2H]- 189.96141 126.0
[M]+ 168.98619 133.0
[M]- 168.98729 133.0
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

No patent data available for this compound.