CID 53219756

4-(4-benzyloxyphenyl)-3-fluorophenol

Structural Information

Molecular Formula
C19H15FO2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C=C(C=C3)O)F
InChI
InChI=1S/C19H15FO2/c20-19-12-16(21)8-11-18(19)15-6-9-17(10-7-15)22-13-14-4-2-1-3-5-14/h1-12,21H,13H2
InChIKey
MGXSUZPIPHJTCG-UHFFFAOYSA-N
Compound name
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10562 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11290 167.0
[M+Na]+ 317.09484 175.0
[M-H]- 293.09834 174.3
[M+NH4]+ 312.13944 181.3
[M+K]+ 333.06878 169.1
[M+H-H2O]+ 277.10288 157.3
[M+HCOO]- 339.10382 188.7
[M+CH3COO]- 353.11947 178.4
[M+Na-2H]- 315.08029 171.4
[M]+ 294.10507 166.1
[M]- 294.10617 166.1
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.