CID 15984798

Ns00061109

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

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

InChI

InChI=1S/C14H10O5/c15-13(17-11-7-3-1-4-8-11)19-14(16)18-12-9-5-2-6-10-12/h1-10H

InChIKey

LCUPNHOUKMJAQN-UHFFFAOYSA-N

Compound name

phenoxycarbonyl phenyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 537
Patents: 258.05283 Da
Monoisotopic Mass: 3.5
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]+	259.060106	154.8
[M+Na]+	281.042048	161.3
[M-H]-	257.045554	161.5
[M+NH4]+	276.086653	170.8
[M+K]+	297.015988	160.2
[M+H-H2O]+	241.050090	146.8
[M+HCOO]-	303.051031	178.7
[M+CH3COO]-	317.066681	189.8
[M+Na-2H]-	279.027496	160.5
[M]+	258.05228142	158.0
[M]-	258.05337858	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe