CID 146155732

168685-74-3

Structural Information

Molecular Formula
C12H9ClF6N4S
SMILES
CC1=NN(C(=C1SCC(F)(F)F)N)C2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C12H9ClF6N4S/c1-5-8(24-4-11(14,15)16)9(20)23(22-5)10-7(13)2-6(3-21-10)12(17,18)19/h2-3H,4,20H2,1H3
InChIKey
WYBRMVVUJMPFIQ-UHFFFAOYSA-N
Compound name
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-4-(2,2,2-trifluoroethylsulfanyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.01407 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.02135 177.2
[M+Na]+ 413.00329 190.0
[M-H]- 389.00679 173.4
[M+NH4]+ 408.04789 188.3
[M+K]+ 428.97723 181.8
[M+H-H2O]+ 373.01133 165.0
[M+HCOO]- 435.01227 180.2
[M+CH3COO]- 449.02792 217.3
[M+Na-2H]- 410.98874 174.6
[M]+ 390.01352 174.3
[M]- 390.01462 174.3
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.