CID 62729136

1431969-89-9

Structural Information

Molecular Formula

C₆H₉F₂N₃

SMILES

C1=C(C=NN1CC(F)F)CN

InChI

InChI=1S/C6H9F2N3/c7-6(8)4-11-3-5(1-9)2-10-11/h2-3,6H,1,4,9H2

InChIKey

IFJSFTLUBNRTRW-UHFFFAOYSA-N

Compound name

[1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.07645 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]+	162.08373	131.6
[M+Na]+	184.06567	139.9
[M+NH4]+	179.11027	137.6
[M+K]+	200.03961	137.1
[M-H]-	160.06917	129.1
[M+Na-2H]-	182.05112	135.3
[M]+	161.07590	131.5
[M]-	161.07700	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.