CID 146117

89992-50-7

Structural Information

Molecular Formula

C₈H₈F₄N₂

SMILES

C(C1=C(C(=C(C(=C1F)F)CN)F)F)N

InChI

InChI=1S/C8H8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2,13-14H2

InChIKey

SLOZZSUAGFSGIC-UHFFFAOYSA-N

Compound name

[4-(aminomethyl)-2,3,5,6-tetrafluorophenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 242
Patents: 208.06236 Da
Monoisotopic Mass: 0.0
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]+	209.069636	138.4
[M+Na]+	231.051578	149.4
[M-H]-	207.055084	137.2
[M+NH4]+	226.096183	157.3
[M+K]+	247.025518	145.2
[M+H-H2O]+	191.059620	129.5
[M+HCOO]-	253.060561	159.6
[M+CH3COO]-	267.076211	193.8
[M+Na-2H]-	229.037026	139.5
[M]+	208.06181142	131.6
[M]-	208.06290858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe