CID 84251

Phenol, 3-(3-phenoxyphenoxy)-

Structural Information

Molecular Formula
C18H14O3
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC=CC(=C3)O
InChI
InChI=1S/C18H14O3/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15/h1-13,19H
InChIKey
VTEWWGHLESEIEO-UHFFFAOYSA-N
Compound name
3-(3-phenoxyphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

278.0943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 162.4
[M+Na]+ 301.08352 169.8
[M-H]- 277.08702 171.0
[M+NH4]+ 296.12812 177.1
[M+K]+ 317.05746 165.3
[M+H-H2O]+ 261.09156 153.6
[M+HCOO]- 323.09250 185.8
[M+CH3COO]- 337.10815 174.4
[M+Na-2H]- 299.06897 168.8
[M]+ 278.09375 163.2
[M]- 278.09485 163.2
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