CID 65267358

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

Structural Information

Molecular Formula
C7H9ClN2S
SMILES
C1CCC(C1)C2=NSC(=N2)Cl
InChI
InChI=1S/C7H9ClN2S/c8-7-9-6(10-11-7)5-3-1-2-4-5/h5H,1-4H2
InChIKey
SINDNRPPDYMWLB-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclopentyl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0175 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.024776 139.0
[M+Na]+ 211.006718 149.0
[M-H]- 187.010224 143.7
[M+NH4]+ 206.051323 161.1
[M+K]+ 226.980658 145.7
[M+H-H2O]+ 171.014760 132.7
[M+HCOO]- 233.015701 152.1
[M+CH3COO]- 247.031351 152.5
[M+Na-2H]- 208.992166 138.5
[M]+ 188.01695142 140.0
[M]- 188.01804858 140.0
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

No patent data available for this compound.