CID 21750342

3-chloro-1,2,4-thiadiazole

Structural Information

Molecular Formula
C2HClN2S
SMILES
C1=NC(=NS1)Cl
InChI
InChI=1S/C2HClN2S/c3-2-4-1-6-5-2/h1H
InChIKey
LKAYAMCKQCBSOU-UHFFFAOYSA-N
Compound name
3-chloro-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

119.954895 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.96217 115.3
[M+Na]+ 142.94411 126.9
[M-H]- 118.94762 117.2
[M+NH4]+ 137.98872 138.5
[M+K]+ 158.91805 124.6
[M+H-H2O]+ 102.95216 110.1
[M+HCOO]- 164.95310 130.4
[M+CH3COO]- 178.96875 130.5
[M+Na-2H]- 140.92956 120.3
[M]+ 119.95435 118.2
[M]- 119.95544 118.2
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