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: 240
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]+	209.06964	145.9
[M+Na]+	231.05158	153.6
[M+NH4]+	226.09618	150.5
[M+K]+	247.02552	148.6
[M-H]-	207.05508	143.1
[M+Na-2H]-	229.03703	148.3
[M]+	208.06181	145.7
[M]-	208.06291	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe