CID 10129987

4-chloro-1,2,5-thiadiazol-3-ol

Structural Information

Molecular Formula
C2HClN2OS
SMILES
C1(=O)C(=NSN1)Cl
InChI
InChI=1S/C2HClN2OS/c3-1-2(6)5-7-4-1/h(H,5,6)
InChIKey
BHBZGQBBRQJXCY-UHFFFAOYSA-N
Compound name
4-chloro-1,2,5-thiadiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

135.94981 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe