CID 56965647

3-phenyl-1-(2,2,2-trifluoroethyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H10F3N3
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)N)CC(F)(F)F
InChI
InChI=1S/C11H10F3N3/c12-11(13,14)7-17-10(15)6-9(16-17)8-4-2-1-3-5-8/h1-6H,7,15H2
InChIKey
GRUVVUBNDUYJAU-UHFFFAOYSA-N
Compound name
5-phenyl-2-(2,2,2-trifluoroethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08269 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08997 148.8
[M+Na]+ 264.07191 158.4
[M-H]- 240.07541 149.2
[M+NH4]+ 259.11651 165.1
[M+K]+ 280.04585 153.7
[M+H-H2O]+ 224.07995 138.4
[M+HCOO]- 286.08089 168.0
[M+CH3COO]- 300.09654 192.6
[M+Na-2H]- 262.05736 152.9
[M]+ 241.08214 143.9
[M]- 241.08324 143.9
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.