CID 2740124

4-phenyl-3-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H7F3N2
SMILES
C1=CC=C(C=C1)C2=C(NN=C2)C(F)(F)F
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)9-8(6-14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey
WXEWNBPXLKAGHA-UHFFFAOYSA-N
Compound name
4-phenyl-5-(trifluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

25
Patents

212.05614 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06342 146.4
[M+Na]+ 235.04536 156.3
[M+NH4]+ 230.08996 152.0
[M+K]+ 251.01930 152.4
[M-H]- 211.04886 143.9
[M+Na-2H]- 233.03081 152.3
[M]+ 212.05559 146.8
[M]- 212.05669 146.8
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