CID 11965

2-fluoroethyl benzoate

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)OCCF

InChI

InChI=1S/C9H9FO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

HRGRPAXXFIOCAB-UHFFFAOYSA-N

Compound name

2-fluoroethyl benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 168.05865 Da
Monoisotopic Mass: 2.1
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]+	169.06593	134.5
[M+Na]+	191.04787	146.3
[M+NH4]+	186.09247	142.4
[M+K]+	207.02181	139.9
[M-H]-	167.05137	134.9
[M+Na-2H]-	189.03332	141.0
[M]+	168.05810	136.1
[M]-	168.05920	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe