CID 44604123

Ec 620-464-3

Structural Information

Molecular Formula

C₈H₉ClF₂N₂

SMILES

C1=CC(=NC=C1CNCC(F)F)Cl

InChI

InChI=1S/C8H9ClF2N2/c9-7-2-1-6(4-13-7)3-12-5-8(10)11/h1-2,4,8,12H,3,5H2

InChIKey

QDQGMLOVCICKPV-UHFFFAOYSA-N

Compound name

N-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 206.04224 Da
Monoisotopic Mass: 2.0
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]+	207.04952	138.1
[M+Na]+	229.03146	146.6
[M-H]-	205.03496	137.5
[M+NH4]+	224.07606	156.3
[M+K]+	245.00540	142.3
[M+H-H2O]+	189.03950	130.3
[M+HCOO]-	251.04044	155.0
[M+CH3COO]-	265.05609	187.0
[M+Na-2H]-	227.01691	143.7
[M]+	206.04169	136.9
[M]-	206.04279	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe