CID 346281

2-phenoxyethyl formate

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

InChI=1S/C9H10O3/c10-8-11-6-7-12-9-4-2-1-3-5-9/h1-5,8H,6-7H2

InChIKey

BRKHBMRNJGJJDV-UHFFFAOYSA-N

Compound name

2-phenoxyethyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 233
Patents: 166.06299 Da
Monoisotopic Mass: 1.7
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]+	167.070266	131.9
[M+Na]+	189.052208	139.6
[M-H]-	165.055714	135.5
[M+NH4]+	184.096813	152.4
[M+K]+	205.026148	138.7
[M+H-H2O]+	149.060250	126.0
[M+HCOO]-	211.061191	157.5
[M+CH3COO]-	225.076841	176.5
[M+Na-2H]-	187.037656	140.3
[M]+	166.06244142	135.5
[M]-	166.06353858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe