CID 10220841

Nc9zjdhoz7

Structural Information

Molecular Formula

C₁₂H₉F₂N₅

SMILES

C1=CC(=C(C(=C1)F)CN2C3=C(C(=NC=C3)N)N=N2)F

InChI

InChI=1S/C12H9F2N5/c13-8-2-1-3-9(14)7(8)6-19-10-4-5-16-12(15)11(10)17-18-19/h1-5H,6H2,(H2,15,16)

InChIKey

UGNDECDRUGMFRQ-UHFFFAOYSA-N

Compound name

1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 16
Patents: 261.0826 Da
Monoisotopic Mass: 1.5
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]+	262.08988	153.6
[M+Na]+	284.07182	167.1
[M+NH4]+	279.11642	159.6
[M+K]+	300.04576	162.4
[M-H]-	260.07532	153.7
[M+Na-2H]-	282.05727	160.8
[M]+	261.08205	155.3
[M]-	261.08315	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe