CID 66425722

1-(4-fluorophenyl)-5-(trifluoromethyl)-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C10H7F4N3
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)N)C(F)(F)F)F
InChI
InChI=1S/C10H7F4N3/c11-6-1-3-7(4-2-6)17-9(10(12,13)14)8(15)5-16-17/h1-5H,15H2
InChIKey
XENHPFIRCXSNIB-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.05762 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06490 147.0
[M+Na]+ 268.04684 158.0
[M-H]- 244.05034 146.6
[M+NH4]+ 263.09144 163.4
[M+K]+ 284.02078 153.1
[M+H-H2O]+ 228.05488 136.1
[M+HCOO]- 290.05582 165.4
[M+CH3COO]- 304.07147 193.6
[M+Na-2H]- 266.03229 150.4
[M]+ 245.05707 141.0
[M]- 245.05817 141.0
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.