CID 11970650

78476-44-5

Structural Information

Molecular Formula
C3H2N2O2S2
SMILES
C1(=O)NC(=O)SC(=S)N1
InChI
InChI=1S/C3H2N2O2S2/c6-1-4-2(7)9-3(8)5-1/h(H2,4,5,6,7,8)
InChIKey
KTCNKXGSWSEDQX-UHFFFAOYSA-N
Compound name
6-sulfanylidene-1,3,5-thiadiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.95576 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.96304 123.9
[M+Na]+ 184.94498 135.7
[M-H]- 160.94848 123.2
[M+NH4]+ 179.98958 141.6
[M+K]+ 200.91892 129.3
[M+H-H2O]+ 144.95302 118.8
[M+HCOO]- 206.95396 134.7
[M+CH3COO]- 220.96961 166.5
[M+Na-2H]- 182.93043 126.6
[M]+ 161.95521 123.2
[M]- 161.95631 123.2
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.