CID 7708

Benzyl formate

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C1=CC=C(C=C1)COC=O

InChI

InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2

InChIKey

UYWQUFXKFGHYNT-UHFFFAOYSA-N

Compound name

benzyl formate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 375
References: 54909
Patents: 136.05243 Da
Monoisotopic Mass: 1.6
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]+	137.059706	124.1
[M+Na]+	159.041648	132.2
[M-H]-	135.045154	127.9
[M+NH4]+	154.086253	145.9
[M+K]+	175.015588	131.1
[M+H-H2O]+	119.049690	118.7
[M+HCOO]-	181.050631	149.8
[M+CH3COO]-	195.066281	171.5
[M+Na-2H]-	157.027096	133.0
[M]+	136.05188142	125.9
[M]-	136.05297858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe