CID 86775319

5-chloro-2,3-dihydro-1,3,4-thiadiazol-2-one

Structural Information

Molecular Formula
C2HClN2OS
SMILES
C1(=O)NN=C(S1)Cl
InChI
InChI=1S/C2HClN2OS/c3-1-4-5-2(6)7-1/h(H,5,6)
InChIKey
KYJGHVMLZDSOOW-UHFFFAOYSA-N
Compound name
5-chloro-3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

135.94981 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.95709 118.7
[M+Na]+ 158.93903 130.8
[M-H]- 134.94253 119.5
[M+NH4]+ 153.98363 140.6
[M+K]+ 174.91297 127.2
[M+H-H2O]+ 118.94707 113.9
[M+HCOO]- 180.94801 132.6
[M+CH3COO]- 194.96366 163.2
[M+Na-2H]- 156.92448 122.5
[M]+ 135.94926 120.7
[M]- 135.95036 120.7
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

patents stripe