CID 3833141

1-(2,4-dichloro-5-fluorophenyl)ethan-1-amine

Structural Information

Molecular Formula

C₈H₈Cl₂FN

SMILES

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

InChI

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

InChIKey

UUGIXMDBIAKDBF-UHFFFAOYSA-N

Compound name

1-(2,4-dichloro-5-fluorophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
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]+	208.00907	137.6
[M+Na]+	229.99101	148.3
[M-H]-	205.99451	139.5
[M+NH4]+	225.03561	158.0
[M+K]+	245.96495	142.8
[M+H-H2O]+	189.99905	133.5
[M+HCOO]-	251.99999	151.2
[M+CH3COO]-	266.01564	188.0
[M+Na-2H]-	227.97646	140.5
[M]+	207.00124	137.9
[M]-	207.00234	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe