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: 23
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]+	184.093226	130.0
[M+Na]+	206.075168	139.8
[M-H]-	182.078674	135.3
[M+NH4]+	201.119773	145.1
[M+K]+	222.049108	135.9
[M+H-H2O]+	166.083210	121.7
[M+HCOO]-	228.084151	153.7
[M+CH3COO]-	242.099801	188.5
[M+Na-2H]-	204.060616	136.4
[M]+	183.08540142	129.3
[M]-	183.08649858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe