CID 12956468

2-chloro-1,3,4-thiadiazole

Structural Information

Molecular Formula
C2HClN2S
SMILES
C1=NN=C(S1)Cl
InChI
InChI=1S/C2HClN2S/c3-2-5-4-1-6-2/h1H
InChIKey
UHOKROAAKKMQQX-UHFFFAOYSA-N
Compound name
2-chloro-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

119.954895 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe