CID 72213939

1211534-72-3

Structural Information

Molecular Formula

C₇H₈F₂N₂

SMILES

C1=CC(=NC=C1CN)C(F)F

InChI

InChI=1S/C7H8F2N2/c8-7(9)6-2-1-5(3-10)4-11-6/h1-2,4,7H,3,10H2

InChIKey

ZXBINSHSDIBEKQ-UHFFFAOYSA-N

Compound name

[6-(difluoromethyl)pyridin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 158.06555 Da
Monoisotopic Mass: 0.4
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]+	159.07283	128.9
[M+Na]+	181.05477	137.1
[M-H]-	157.05827	128.3
[M+NH4]+	176.09937	148.0
[M+K]+	197.02871	134.7
[M+H-H2O]+	141.06281	120.7
[M+HCOO]-	203.06375	150.1
[M+CH3COO]-	217.07940	179.5
[M+Na-2H]-	179.04022	134.4
[M]+	158.06500	124.3
[M]-	158.06610	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe