CID 2779424

207557-34-4

Structural Information

Molecular Formula

C₈H₁₀F₃N₃

SMILES

C1=CC(=NC=C1C(F)(F)F)NCCN

InChI

InChI=1S/C8H10F3N3/c9-8(10,11)6-1-2-7(14-5-6)13-4-3-12/h1-2,5H,3-4,12H2,(H,13,14)

InChIKey

PFGNVKSFFSSFEU-UHFFFAOYSA-N

Compound name

N'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 205.08269 Da
Monoisotopic Mass: 1.1
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]+	206.08997	141.1
[M+Na]+	228.07191	148.7
[M+NH4]+	223.11651	146.2
[M+K]+	244.04585	144.2
[M-H]-	204.07541	138.5
[M+Na-2H]-	226.05736	145.5
[M]+	205.08214	141.0
[M]-	205.08324	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe