CID 119391

1,3,4-thiadiazole

Structural Information

Molecular Formula
C2H2N2S
SMILES
C1=NN=CS1
InChI
InChI=1S/C2H2N2S/c1-3-4-2-5-1/h1-2H
InChIKey
MBIZXFATKUQOOA-UHFFFAOYSA-N
Compound name
1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

380
References

79040
Patents

85.993866 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.001142 109.5
[M+Na]+ 108.98308 119.8
[M-H]- 84.986590 111.3
[M+NH4]+ 104.02769 133.1
[M+K]+ 124.95702 119.3
[M+H-H2O]+ 68.991126 103.6
[M+HCOO]- 130.99207 129.5
[M+CH3COO]- 145.00772 124.9
[M+Na-2H]- 106.96853 115.8
[M]+ 85.993317 110.6
[M]- 85.994415 110.6
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