CID 3773453

502133-02-0

Structural Information

Molecular Formula
C10H8F3N3
SMILES
C1=CC=C(C(=C1)C2=CC(=NN2)N)C(F)(F)F
InChI
InChI=1S/C10H8F3N3/c11-10(12,13)7-4-2-1-3-6(7)8-5-9(14)16-15-8/h1-5H,(H3,14,15,16)
InChIKey
RMESUTALZUKOKV-UHFFFAOYSA-N
Compound name
5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

227.06703 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.074306 144.4
[M+Na]+ 250.056248 154.0
[M-H]- 226.059754 143.6
[M+NH4]+ 245.100853 160.6
[M+K]+ 266.030188 148.6
[M+H-H2O]+ 210.064290 134.5
[M+HCOO]- 272.065231 162.4
[M+CH3COO]- 286.080881 187.1
[M+Na-2H]- 248.041696 148.6
[M]+ 227.06648142 137.2
[M]- 227.06757858 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

No literature data available for this compound.

Patent stripe

patents stripe