CID 16793108

625437-37-8

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

C1CC1NCC2=C(C=CC=C2F)F

InChI

InChI=1S/C10H11F2N/c11-9-2-1-3-10(12)8(9)6-13-7-4-5-7/h1-3,7,13H,4-6H2

InChIKey

PJJAYNMZLKUGNZ-UHFFFAOYSA-N

Compound name

N-[(2,6-difluorophenyl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 183.08595 Da
Monoisotopic Mass: 1.9
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]+	184.09323	130.0
[M+Na]+	206.07517	139.8
[M-H]-	182.07867	135.3
[M+NH4]+	201.11977	145.1
[M+K]+	222.04911	135.9
[M+H-H2O]+	166.08321	121.7
[M+HCOO]-	228.08415	153.7
[M+CH3COO]-	242.09980	188.5
[M+Na-2H]-	204.06062	136.4
[M]+	183.08540	129.3
[M]-	183.08650	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe