CID 65267255

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

Structural Information

Molecular Formula
C8H11ClN2S
SMILES
C1CCC(CC1)C2=NSC(=N2)Cl
InChI
InChI=1S/C8H11ClN2S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
XTQXHZULWITISY-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclohexyl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

202.03314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04042 141.1
[M+Na]+ 225.02236 149.5
[M-H]- 201.02586 144.9
[M+NH4]+ 220.06696 160.7
[M+K]+ 240.99630 145.5
[M+H-H2O]+ 185.03040 134.3
[M+HCOO]- 247.03134 151.7
[M+CH3COO]- 261.04699 153.5
[M+Na-2H]- 223.00781 141.9
[M]+ 202.03259 140.1
[M]- 202.03369 140.1
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