CID 64437788

3-[3-(trifluoromethyl)-1h-pyrazol-1-yl]phenol

Structural Information

Molecular Formula
C10H7F3N2O
SMILES
C1=CC(=CC(=C1)O)N2C=CC(=N2)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)9-4-5-15(14-9)7-2-1-3-8(16)6-7/h1-6,16H
InChIKey
WRDGJEBUKAOQFH-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)pyrazol-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05104 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05832 150.1
[M+Na]+ 251.04026 159.9
[M+NH4]+ 246.08486 155.2
[M+K]+ 267.01420 156.6
[M-H]- 227.04376 147.2
[M+Na-2H]- 249.02571 155.3
[M]+ 228.05049 150.4
[M]- 228.05159 150.4
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.