CID 84648933

(3,5-difluoropyridin-4-yl)methanamine dihydrochloride

Structural Information

Molecular Formula

C₆H₆F₂N₂

SMILES

C1=C(C(=C(C=N1)F)CN)F

InChI

InChI=1S/C6H6F2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H,1,9H2

InChIKey

FEDGPLHAUHSNPW-UHFFFAOYSA-N

Compound name

(3,5-difluoro-4-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 144.04991 Da
Monoisotopic Mass: -0.1
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]+	145.057186	123.7
[M+Na]+	167.039128	133.6
[M-H]-	143.042634	123.6
[M+NH4]+	162.083733	143.8
[M+K]+	183.013068	131.0
[M+H-H2O]+	127.047170	115.9
[M+HCOO]-	189.048111	146.2
[M+CH3COO]-	203.063761	176.7
[M+Na-2H]-	165.024576	130.3
[M]+	144.04936142	119.7
[M]-	144.05045858	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe