CID 28766535

N-(3-aminopropyl)-3-fluoroaniline hydrochloride

Structural Information

Molecular Formula

C₉H₁₃FN₂

SMILES

C1=CC(=CC(=C1)F)NCCCN

InChI

InChI=1S/C9H13FN2/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7,12H,2,5-6,11H2

InChIKey

UBSARERNSRQVNM-UHFFFAOYSA-N

Compound name

N'-(3-fluorophenyl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 168.10628 Da
Monoisotopic Mass: 2.0
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]+	169.11356	134.5
[M+Na]+	191.09550	145.0
[M+NH4]+	186.14010	142.7
[M+K]+	207.06944	138.2
[M-H]-	167.09900	136.7
[M+Na-2H]-	189.08095	141.2
[M]+	168.10573	136.3
[M]-	168.10683	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe