CID 129228

Rufinamide

Structural Information

Molecular Formula

C₁₀H₈F₂N₄O

SMILES

C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F

InChI

InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)

InChIKey

POGQSBRIGCQNEG-UHFFFAOYSA-N

Compound name

1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 241
References: 4254
Patents: 238.06662 Da
Monoisotopic Mass: 0.7
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]+	239.07390	147.8
[M+Na]+	261.05584	158.0
[M-H]-	237.05934	148.5
[M+NH4]+	256.10044	162.8
[M+K]+	277.02978	153.8
[M+H-H2O]+	221.06388	137.2
[M+HCOO]-	283.06482	168.0
[M+CH3COO]-	297.08047	193.2
[M+Na-2H]-	259.04129	150.4
[M]+	238.06607	145.3
[M]-	238.06717	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe