CID 136542

3-fluorophenyl acetate

Structural Information

Molecular Formula

SMILES

CC(=O)OC1=CC(=CC=C1)F

InChI

InChI=1S/C8H7FO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3

InChIKey

IAWZWMGUTKRLQB-UHFFFAOYSA-N

Compound name

(3-fluorophenyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 304
Patents: 154.04301 Da
Monoisotopic Mass: 1.7
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]+	155.05029	129.6
[M+Na]+	177.03223	142.0
[M+NH4]+	172.07683	137.7
[M+K]+	193.00617	136.1
[M-H]-	153.03573	130.1
[M+Na-2H]-	175.01768	136.3
[M]+	154.04246	131.4
[M]-	154.04356	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe