CID 69621

Hexafluoroglutaryl chloride

Structural Information

Molecular Formula

C₅Cl₂F₆O₂

SMILES

C(=O)(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)Cl

InChI

InChI=1S/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15

InChIKey

QOLALWJWCONGMG-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4-hexafluoropentanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 251
Patents: 275.91797 Da
Monoisotopic Mass: 3.3
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]+	276.92525	135.5
[M+Na]+	298.90719	145.9
[M-H]-	274.91069	128.9
[M+NH4]+	293.95179	152.6
[M+K]+	314.88113	141.5
[M+H-H2O]+	258.91523	129.2
[M+HCOO]-	320.91617	138.8
[M+CH3COO]-	334.93182	194.5
[M+Na-2H]-	296.89264	139.5
[M]+	275.91742	130.6
[M]-	275.91852	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe