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

35
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 147.6
[M+Na]+ 250.05625 156.4
[M+NH4]+ 245.10085 152.7
[M+K]+ 266.03019 153.4
[M-H]- 226.05975 145.3
[M+Na-2H]- 248.04170 152.8
[M]+ 227.06648 147.8
[M]- 227.06758 147.8
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