CID 3016970

Phenoxyethylparaben

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

C1=CC=C(C=C1)OCCOC(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H14O4/c16-13-8-6-12(7-9-13)15(17)19-11-10-18-14-4-2-1-3-5-14/h1-9,16H,10-11H2

InChIKey

GGPOVLCFVFOVDF-UHFFFAOYSA-N

Compound name

2-phenoxyethyl 4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 800
Patents: 258.0892 Da
Monoisotopic Mass: 3.3
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]+	259.09648	156.9
[M+Na]+	281.07842	163.3
[M-H]-	257.08192	162.1
[M+NH4]+	276.12302	172.5
[M+K]+	297.05236	160.5
[M+H-H2O]+	241.08646	149.2
[M+HCOO]-	303.08740	179.5
[M+CH3COO]-	317.10305	191.2
[M+Na-2H]-	279.06387	162.0
[M]+	258.08865	159.1
[M]-	258.08975	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe