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 143.7
[M+Na]+ 251.04026 154.0
[M-H]- 227.04376 143.4
[M+NH4]+ 246.08486 160.4
[M+K]+ 267.01420 149.7
[M+H-H2O]+ 211.04830 134.0
[M+HCOO]- 273.04924 161.5
[M+CH3COO]- 287.06489 184.9
[M+Na-2H]- 249.02571 148.4
[M]+ 228.05049 139.6
[M]- 228.05159 139.6
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.