CID 58367390

915720-76-2

Structural Information

Molecular Formula

C₇H₈F₂N₂

SMILES

CC(C1=C(C=C(C=N1)F)F)N

InChI

InChI=1S/C7H8F2N2/c1-4(10)7-6(9)2-5(8)3-11-7/h2-4H,10H2,1H3

InChIKey

YIVYDQMDAGDWBF-UHFFFAOYSA-N

Compound name

1-(3,5-difluoro-2-pyridinyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 158.06555 Da
Monoisotopic Mass: 0.3
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]+	159.072826	128.8
[M+Na]+	181.054768	138.0
[M-H]-	157.058274	128.6
[M+NH4]+	176.099373	148.3
[M+K]+	197.028708	135.6
[M+H-H2O]+	141.062810	120.9
[M+HCOO]-	203.063751	150.0
[M+CH3COO]-	217.079401	180.6
[M+Na-2H]-	179.040216	133.6
[M]+	158.06500142	124.6
[M]-	158.06609858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe