CID 18184352

Thiadiazolone

Structural Information

Molecular Formula
C2H2N2OS
SMILES
C1=CS(=O)N=N1
InChI
InChI=1S/C2H2N2OS/c5-6-2-1-3-4-6/h1-2H
InChIKey
XWMXMWHHTIEXRE-UHFFFAOYSA-N
Compound name
thiadiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

931
Patents

101.988785 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.996061 112.5
[M+Na]+ 124.978003 123.8
[M-H]- 100.981509 114.6
[M+NH4]+ 120.022608 135.5
[M+K]+ 140.951943 122.9
[M+H-H2O]+ 84.986045 106.7
[M+HCOO]- 146.986986 132.7
[M+CH3COO]- 161.002636 160.9
[M+Na-2H]- 122.963451 118.0
[M]+ 101.98823642 114.6
[M]- 101.98933358 114.6
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