CID 53394777

1375474-27-3

Structural Information

Molecular Formula

SMILES

CC(C1=C(C=CC=C1Cl)F)N

InChI

InChI=1S/C8H9ClFN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3

InChIKey

WLQXZWHHERXWHA-UHFFFAOYSA-N

Compound name

1-(2-chloro-6-fluorophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 173.04076 Da
Monoisotopic Mass: 1.9
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]+	174.04804	131.3
[M+Na]+	196.02998	144.1
[M+NH4]+	191.07458	140.3
[M+K]+	212.00392	137.4
[M-H]-	172.03348	133.2
[M+Na-2H]-	194.01543	138.2
[M]+	173.04021	133.9
[M]-	173.04131	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe