CID 16637324

4-(4-chlorophenyl)-3-(trifluoromethyl)-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C10H7ClF3N3
SMILES
C1=CC(=CC=C1C2=C(NN=C2N)C(F)(F)F)Cl
InChI
InChI=1S/C10H7ClF3N3/c11-6-3-1-5(2-4-6)7-8(10(12,13)14)16-17-9(7)15/h1-4H,(H3,15,16,17)
InChIKey
FITRLOBMRVIWHK-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

261.02805 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03533 150.9
[M+Na]+ 284.01727 162.1
[M-H]- 260.02077 150.2
[M+NH4]+ 279.06187 166.8
[M+K]+ 299.99121 154.9
[M+H-H2O]+ 244.02531 141.5
[M+HCOO]- 306.02625 164.2
[M+CH3COO]- 320.04190 192.0
[M+Na-2H]- 282.00272 153.9
[M]+ 261.02750 146.2
[M]- 261.02860 146.2
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