CID 106518468

1694143-69-5

Structural Information

Molecular Formula
C6H4N2OS2
SMILES
C1=CSC=C1C2=NNC(=O)S2
InChI
InChI=1S/C6H4N2OS2/c9-6-8-7-5(11-6)4-1-2-10-3-4/h1-3H,(H,8,9)
InChIKey
WAHYUAOOWCZLBW-UHFFFAOYSA-N
Compound name
5-thiophen-3-yl-3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.9765 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.98378 132.7
[M+Na]+ 206.96572 146.3
[M-H]- 182.96922 137.7
[M+NH4]+ 202.01032 154.4
[M+K]+ 222.93966 141.9
[M+H-H2O]+ 166.97376 127.7
[M+HCOO]- 228.97470 148.9
[M+CH3COO]- 242.99035 147.5
[M+Na-2H]- 204.95117 133.4
[M]+ 183.97595 136.2
[M]- 183.97705 136.2
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.