CID 12689221

78972-27-7

Structural Information

Molecular Formula
C3H2N2OS3
SMILES
C1(=O)NC(=S)SC(=S)N1
InChI
InChI=1S/C3H2N2OS3/c6-1-4-2(7)9-3(8)5-1/h(H2,4,5,6,7,8)
InChIKey
FZBNEDQJQRMCNL-UHFFFAOYSA-N
Compound name
2,6-bis(sulfanylidene)-1,3,5-thiadiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.93292 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.94020 126.3
[M+Na]+ 200.92214 137.9
[M-H]- 176.92564 124.7
[M+NH4]+ 195.96674 143.0
[M+K]+ 216.89608 128.9
[M+H-H2O]+ 160.93018 121.4
[M+HCOO]- 222.93112 130.7
[M+CH3COO]- 236.94677 137.8
[M+Na-2H]- 198.90759 127.3
[M]+ 177.93237 123.4
[M]- 177.93347 123.4
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.