CID 360685

Nsc623021

Structural Information

Molecular Formula
C5N2OS3
SMILES
C(#N)C1=C2C(=NS1)SC(=O)S2
InChI
InChI=1S/C5N2OS3/c6-1-2-3-4(7-11-2)10-5(8)9-3
InChIKey
QLIXTKDDQAMPPH-UHFFFAOYSA-N
Compound name
5-oxo-[1,3]dithiolo[4,5-c][1,2]thiazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.91728 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.92456 150.6
[M+Na]+ 222.90650 167.6
[M-H]- 198.91000 155.9
[M+NH4]+ 217.95110 172.5
[M+K]+ 238.88044 162.9
[M+H-H2O]+ 182.91454 140.8
[M+HCOO]- 244.91548 158.9
[M+CH3COO]- 258.93113 163.6
[M+Na-2H]- 220.89195 151.0
[M]+ 199.91673 151.3
[M]- 199.91783 151.3
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.