CID 74626

Phenyl formate

Structural Information

Molecular Formula

C₇H₆O₂

SMILES

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

InChI

InChI=1S/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H

InChIKey

GEOWCLRLLWTHDN-UHFFFAOYSA-N

Compound name

phenyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 29
References: 58684
Patents: 122.03678 Da
Monoisotopic Mass: 1.3
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]+	123.044056	119.4
[M+Na]+	145.025998	127.9
[M-H]-	121.029504	123.4
[M+NH4]+	140.070603	141.7
[M+K]+	160.999938	127.1
[M+H-H2O]+	105.034040	114.1
[M+HCOO]-	167.034981	145.4
[M+CH3COO]-	181.050631	168.5
[M+Na-2H]-	143.011446	128.9
[M]+	122.03623142	120.8
[M]-	122.03732858	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe