CID 12940624

4-(4-fluorophenoxy)phenol

Structural Information

Molecular Formula
C12H9FO2
SMILES
C1=CC(=CC=C1O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C12H9FO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
InChIKey
KIVFDFJTCRMULF-UHFFFAOYSA-N
Compound name
4-(4-fluorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

204.05865 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06593 139.8
[M+Na]+ 227.04787 148.8
[M-H]- 203.05137 144.6
[M+NH4]+ 222.09247 158.3
[M+K]+ 243.02181 145.2
[M+H-H2O]+ 187.05591 132.4
[M+HCOO]- 249.05685 162.9
[M+CH3COO]- 263.07250 182.4
[M+Na-2H]- 225.03332 146.6
[M]+ 204.05810 138.9
[M]- 204.05920 138.9
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

patents stripe