CID 155241

4-(5-trifluoromethyl-pyridin-2-yloxy)-phenol

Structural Information

Molecular Formula
C12H8F3NO2
SMILES
C1=CC(=CC=C1O)OC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H8F3NO2/c13-12(14,15)8-1-6-11(16-7-8)18-10-4-2-9(17)3-5-10/h1-7,17H
InChIKey
LXXDBPUREVMTMI-UHFFFAOYSA-N
Compound name
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

198
Patents

255.05072 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05800 151.3
[M+Na]+ 278.03994 160.8
[M-H]- 254.04344 152.0
[M+NH4]+ 273.08454 166.2
[M+K]+ 294.01388 156.4
[M+H-H2O]+ 238.04798 141.3
[M+HCOO]- 300.04892 169.1
[M+CH3COO]- 314.06457 190.3
[M+Na-2H]- 276.02539 157.5
[M]+ 255.05017 148.0
[M]- 255.05127 148.0
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.