CID 253146

2-chloro-5-ethyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C4H5ClN2S
SMILES
CCC1=NN=C(S1)Cl
InChI
InChI=1S/C4H5ClN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChIKey
CLUNMUKPUZKTQF-UHFFFAOYSA-N
Compound name
2-chloro-5-ethyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

147.98619 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99347 126.4
[M+Na]+ 170.97541 139.5
[M+NH4]+ 166.02001 135.9
[M+K]+ 186.94935 132.4
[M-H]- 146.97891 127.6
[M+Na-2H]- 168.96086 132.2
[M]+ 147.98564 129.3
[M]- 147.98674 129.3
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