CID 71757854

2763756-13-2

Structural Information

Molecular Formula

C₈H₁₀F₂N₂O

SMILES

C1=CC(=NC(=C1)OCC(F)F)CN

InChI

InChI=1S/C8H10F2N2O/c9-7(10)5-13-8-3-1-2-6(4-11)12-8/h1-3,7H,4-5,11H2

InChIKey

HAXNPSBLUUVYAI-UHFFFAOYSA-N

Compound name

[6-(2,2-difluoroethoxy)-2-pyridinyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.07613 Da
Monoisotopic Mass: 0.9
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]+	189.083406	136.7
[M+Na]+	211.065348	144.4
[M-H]-	187.068854	135.9
[M+NH4]+	206.109953	154.5
[M+K]+	227.039288	142.2
[M+H-H2O]+	171.073390	128.0
[M+HCOO]-	233.074331	157.8
[M+CH3COO]-	247.089981	184.5
[M+Na-2H]-	209.050796	141.6
[M]+	188.07558142	133.8
[M]-	188.07667858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.