CID 130572

105856-26-6

Structural Information

Molecular Formula

C₁₄H₁₄F₂N₂

SMILES

C1=CC(=CC=C1C(C(C2=CC=C(C=C2)F)N)N)F

InChI

InChI=1S/C14H14F2N2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14H,17-18H2

InChIKey

DWKHQEHNAPMAGG-UHFFFAOYSA-N

Compound name

1,2-bis(4-fluorophenyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 61
Patents: 248.1125 Da
Monoisotopic Mass: 1.6
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]+	249.11978	154.9
[M+Na]+	271.10172	161.3
[M-H]-	247.10522	158.2
[M+NH4]+	266.14632	170.9
[M+K]+	287.07566	156.7
[M+H-H2O]+	231.10976	145.7
[M+HCOO]-	293.11070	176.0
[M+CH3COO]-	307.12635	200.1
[M+Na-2H]-	269.08717	156.5
[M]+	248.11195	148.0
[M]-	248.11305	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe