CID 139482

Methyl phenyl carbonate

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

COC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C8H8O3/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

XTBFPVLHGVYOQH-UHFFFAOYSA-N

Compound name

methyl phenyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4266
Patents: 152.04735 Da
Monoisotopic Mass: 1.9
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]+	153.05463	128.9
[M+Na]+	175.03657	141.5
[M+NH4]+	170.08117	137.3
[M+K]+	191.01051	135.9
[M-H]-	151.04007	130.5
[M+Na-2H]-	173.02202	136.2
[M]+	152.04680	131.0
[M]-	152.04790	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe