CID 12821434

1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C2H2N2OS
SMILES
C1=NNC(=S)O1
InChI
InChI=1S/C2H2N2OS/c6-2-4-3-1-5-2/h1H,(H,4,6)
InChIKey
RUBRCWOFANAOTP-UHFFFAOYSA-N
Compound name
3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

2536
Patents

101.988785 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.99606 112.5
[M+Na]+ 124.97800 123.5
[M-H]- 100.98151 113.8
[M+NH4]+ 120.02261 133.6
[M+K]+ 140.95194 122.6
[M+H-H2O]+ 84.986045 107.1
[M+HCOO]- 146.98699 130.5
[M+CH3COO]- 161.00264 127.5
[M+Na-2H]- 122.96345 118.3
[M]+ 101.98824 113.3
[M]- 101.98933 113.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe