CID 102722

1940-49-4

Structural Information

Molecular Formula

C₁₅H₁₆O₃

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(CO)O

InChI

InChI=1S/C15H16O3/c16-10-14(17)11-18-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,16-17H,10-11H2

InChIKey

IMXUYOYYNZMNDM-UHFFFAOYSA-N

Compound name

3-(4-phenylphenoxy)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 244.10994 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.117216	155.1
[M+Na]+	267.099158	160.8
[M-H]-	243.102664	158.9
[M+NH4]+	262.143763	170.7
[M+K]+	283.073098	157.1
[M+H-H2O]+	227.107200	147.9
[M+HCOO]-	289.108141	175.7
[M+CH3COO]-	303.123791	188.0
[M+Na-2H]-	265.084606	159.7
[M]+	244.10939142	154.8
[M]-	244.11048858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe