CID 4737235

4-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H8F3N3
SMILES
C1=CC=C(C=C1)C2=C(NN=C2N)C(F)(F)F
InChI
InChI=1S/C10H8F3N3/c11-10(12,13)8-7(9(14)16-15-8)6-4-2-1-3-5-6/h1-5H,(H3,14,15,16)
InChIKey
PTOIGRHOCJXCQD-UHFFFAOYSA-N
Compound name
4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

16
Patents

227.06703 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07431 144.4
[M+Na]+ 250.05625 154.0
[M-H]- 226.05975 143.6
[M+NH4]+ 245.10085 160.6
[M+K]+ 266.03019 148.6
[M+H-H2O]+ 210.06429 134.5
[M+HCOO]- 272.06523 162.4
[M+CH3COO]- 286.08088 187.1
[M+Na-2H]- 248.04170 148.6
[M]+ 227.06648 137.2
[M]- 227.06758 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe