CID 2782365

4-(4-fluorophenylethynyl)phenol

Structural Information

Molecular Formula
C14H9FO
SMILES
C1=CC(=CC=C1C#CC2=CC=C(C=C2)F)O
InChI
InChI=1S/C14H9FO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,16H
InChIKey
LIPHCUGEWJPCQB-UHFFFAOYSA-N
Compound name
4-[2-(4-fluorophenyl)ethynyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

212.06374 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07102 148.0
[M+Na]+ 235.05296 159.4
[M-H]- 211.05646 150.4
[M+NH4]+ 230.09756 164.1
[M+K]+ 251.02690 151.9
[M+H-H2O]+ 195.06100 134.9
[M+HCOO]- 257.06194 164.5
[M+CH3COO]- 271.07759 159.0
[M+Na-2H]- 233.03841 152.3
[M]+ 212.06319 140.2
[M]- 212.06429 140.2
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