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]+ 189.02478 139.0
[M+Na]+ 211.00672 149.0
[M-H]- 187.01022 143.7
[M+NH4]+ 206.05132 161.1
[M+K]+ 226.98066 145.7
[M+H-H2O]+ 171.01476 132.7
[M+HCOO]- 233.01570 152.1
[M+CH3COO]- 247.03135 152.5
[M+Na-2H]- 208.99217 138.5
[M]+ 188.01695 140.0
[M]- 188.01805 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.