CID 139482

13509-27-8

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: 4080
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]+	153.054626	128.0
[M+Na]+	175.036568	136.0
[M-H]-	151.040074	132.0
[M+NH4]+	170.081173	149.2
[M+K]+	191.010508	135.9
[M+H-H2O]+	135.044610	122.4
[M+HCOO]-	197.045551	152.9
[M+CH3COO]-	211.061201	173.0
[M+Na-2H]-	173.022016	135.6
[M]+	152.04680142	130.5
[M]-	152.04789858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe