CID 67258054

5-(chloromethyl)-3-ethyl-1,2,4-thiadiazole

Structural Information

Molecular Formula
C5H7ClN2S
SMILES
CCC1=NSC(=N1)CCl
InChI
InChI=1S/C5H7ClN2S/c1-2-4-7-5(3-6)9-8-4/h2-3H2,1H3
InChIKey
LSCOEUHXGIQTRT-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-ethyl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

162.00185 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.00913 130.8
[M+Na]+ 184.99107 143.7
[M+NH4]+ 180.03567 140.2
[M+K]+ 200.96501 136.4
[M-H]- 160.99457 132.0
[M+Na-2H]- 182.97652 136.3
[M]+ 162.00130 133.6
[M]- 162.00240 133.6
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