CID 22283435

409325-06-0

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

C=CC(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C16H14O3/c1-2-16(17)18-12-13-7-6-10-15(11-13)19-14-8-4-3-5-9-14/h2-11H,1,12H2

InChIKey

BXSPZNVFEYWSLZ-UHFFFAOYSA-N

Compound name

(3-phenoxyphenyl)methyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 987
Patents: 254.0943 Da
Monoisotopic Mass: 4.1
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]+	255.101576	156.9
[M+Na]+	277.083518	163.8
[M-H]-	253.087024	163.4
[M+NH4]+	272.128123	173.4
[M+K]+	293.057458	160.4
[M+H-H2O]+	237.091560	149.1
[M+HCOO]-	299.092501	180.7
[M+CH3COO]-	313.108151	193.8
[M+Na-2H]-	275.068966	161.9
[M]+	254.09375142	159.2
[M]-	254.09484858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe