CID 15541180

4-(4-trifluoromethylphenyl)phenol

Structural Information

Molecular Formula
C13H9F3O
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)O)C(F)(F)F
InChI
InChI=1S/C13H9F3O/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8,17H
InChIKey
AFPOYLCQXONCPX-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethyl)phenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

272
Patents

238.06055 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06783 147.6
[M+Na]+ 261.04977 156.8
[M-H]- 237.05327 149.6
[M+NH4]+ 256.09437 164.7
[M+K]+ 277.02371 151.9
[M+H-H2O]+ 221.05781 138.7
[M+HCOO]- 283.05875 166.2
[M+CH3COO]- 297.07440 188.7
[M+Na-2H]- 259.03522 153.1
[M]+ 238.06000 142.7
[M]- 238.06110 142.7
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