CID 9580

2-fluorobenzyl chloride

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)CCl)F

InChI

InChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

InChIKey

MOBRMRJUKNQBMY-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-2-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2167
Patents: 144.0142 Da
Monoisotopic Mass: 2.6
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]+	145.021476	121.9
[M+Na]+	167.003418	132.0
[M-H]-	143.006924	124.5
[M+NH4]+	162.048023	144.6
[M+K]+	182.977358	128.2
[M+H-H2O]+	127.011460	117.0
[M+HCOO]-	189.012401	141.5
[M+CH3COO]-	203.028051	173.2
[M+Na-2H]-	164.988866	129.7
[M]+	144.01365142	122.3
[M]-	144.01474858	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe