CID 170230

4-[4-(trifluoromethyl)phenoxy]phenol

Structural Information

Molecular Formula
C13H9F3O2
SMILES
C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)O
InChI
InChI=1S/C13H9F3O2/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-8,17H
InChIKey
FJFSSESWAFPCSU-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethyl)phenoxy]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

291
Patents

254.05547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06275 151.1
[M+Na]+ 277.04469 160.2
[M-H]- 253.04819 153.1
[M+NH4]+ 272.08929 167.5
[M+K]+ 293.01863 155.9
[M+H-H2O]+ 237.05273 141.9
[M+HCOO]- 299.05367 169.9
[M+CH3COO]- 313.06932 190.7
[M+Na-2H]- 275.03014 156.7
[M]+ 254.05492 147.6
[M]- 254.05602 147.6
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