CID 15008979

1,2-bis(4-fluorophenyl)ethan-1-amine

Structural Information

Molecular Formula

C₁₄H₁₃F₂N

SMILES

C1=CC(=CC=C1CC(C2=CC=C(C=C2)F)N)F

InChI

InChI=1S/C14H13F2N/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14H,9,17H2

InChIKey

HXXGVFCEHAXKDD-UHFFFAOYSA-N

Compound name

1,2-bis(4-fluorophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 233.10161 Da
Monoisotopic Mass: 3.0
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]+	234.10889	152.7
[M+Na]+	256.09083	165.1
[M+NH4]+	251.13543	160.6
[M+K]+	272.06477	157.4
[M-H]-	232.09433	155.4
[M+Na-2H]-	254.07628	160.8
[M]+	233.10106	155.1
[M]-	233.10216	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe