CID 119751

Einecs 248-729-5

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2OCO

InChI

InChI=1S/C13H12O2/c14-10-15-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,14H,10H2

InChIKey

PRDSJPMVXYYZQU-UHFFFAOYSA-N

Compound name

(2-phenylphenoxy)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 200.08372 Da
Monoisotopic Mass: 2.6
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]+	201.090996	141.9
[M+Na]+	223.072938	149.4
[M-H]-	199.076444	147.4
[M+NH4]+	218.117543	160.2
[M+K]+	239.046878	146.0
[M+H-H2O]+	183.080980	135.1
[M+HCOO]-	245.081921	165.6
[M+CH3COO]-	259.097571	181.6
[M+Na-2H]-	221.058386	149.4
[M]+	200.08317142	142.0
[M]-	200.08426858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe