CID 136339

Hexafluoroglutaramide

Structural Information

Molecular Formula

C₅H₄F₆N₂O₂

SMILES

C(=O)(C(C(C(C(=O)N)(F)F)(F)F)(F)F)N

InChI

InChI=1S/C5H4F6N2O2/c6-3(7,1(12)14)5(10,11)4(8,9)2(13)15/h(H2,12,14)(H2,13,15)

InChIKey

WBOGURVAQVCKGX-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4-hexafluoropentanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 238.0177 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]+	239.02498	138.3
[M+Na]+	261.00692	145.7
[M-H]-	237.01042	130.4
[M+NH4]+	256.05152	154.1
[M+K]+	276.98086	144.5
[M+H-H2O]+	221.01496	129.3
[M+HCOO]-	283.01590	150.9
[M+CH3COO]-	297.03155	194.7
[M+Na-2H]-	258.99237	141.0
[M]+	238.01715	126.0
[M]-	238.01825	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe