CID 16789927

(1r)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-amine

Structural Information

Molecular Formula

C₈H₈Cl₂FN

SMILES

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

InChI

InChI=1S/C8H8Cl2FN/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4H,12H2,1H3

InChIKey

CACPRGLQLUXAOA-UHFFFAOYSA-N

Compound name

1-(2,6-dichloro-3-fluorophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 207.00179 Da
Monoisotopic Mass: 2.5
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]+	208.009066	137.6
[M+Na]+	229.991008	148.3
[M-H]-	205.994514	139.5
[M+NH4]+	225.035613	158.0
[M+K]+	245.964948	142.8
[M+H-H2O]+	189.999050	133.5
[M+HCOO]-	251.999991	151.2
[M+CH3COO]-	266.015641	188.0
[M+Na-2H]-	227.976456	140.5
[M]+	207.00124142	137.9
[M]-	207.00233858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe