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]+ 229.058316 143.7
[M+Na]+ 251.040258 154.0
[M-H]- 227.043764 143.4
[M+NH4]+ 246.084863 160.4
[M+K]+ 267.014198 149.7
[M+H-H2O]+ 211.048300 134.0
[M+HCOO]- 273.049241 161.5
[M+CH3COO]- 287.064891 184.9
[M+Na-2H]- 249.025706 148.4
[M]+ 228.05049142 139.6
[M]- 228.05158858 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.