CID 47795

66000-40-6

Structural Information

Molecular Formula
C10H10F3N3
SMILES
C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
InChIKey
CPXGGWXJNQSFEP-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

465
References

309
Patents

229.08269 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08997 145.9
[M+Na]+ 252.07191 154.8
[M-H]- 228.07541 146.0
[M+NH4]+ 247.11651 162.6
[M+K]+ 268.04585 150.6
[M+H-H2O]+ 212.07995 135.6
[M+HCOO]- 274.08089 163.9
[M+CH3COO]- 288.09654 189.9
[M+Na-2H]- 250.05736 149.5
[M]+ 229.08214 139.1
[M]- 229.08324 139.1
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