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

15
Patents

162.00185 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.009126 128.6
[M+Na]+ 184.991068 139.8
[M-H]- 160.994574 130.3
[M+NH4]+ 180.035673 150.4
[M+K]+ 200.965008 136.6
[M+H-H2O]+ 144.999110 123.0
[M+HCOO]- 207.000051 142.7
[M+CH3COO]- 221.015701 173.8
[M+Na-2H]- 182.976516 131.4
[M]+ 162.00130142 132.9
[M]- 162.00239858 132.9
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