CID 67731

Perfluorohexanoyl fluoride

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

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

InChI

InChI=1S/C6F12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18

InChIKey

XATLHBQMSOZWBO-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoyl fluoride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 174
Patents: 315.97574 Da
Monoisotopic Mass: 4.0
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]+	316.983016	152.1
[M+Na]+	338.964958	161.9
[M-H]-	314.968464	139.1
[M+NH4]+	334.009563	165.5
[M+K]+	354.938898	159.4
[M+H-H2O]+	298.973000	139.7
[M+HCOO]-	360.973941	154.9
[M+CH3COO]-	374.989591	206.2
[M+Na-2H]-	336.950406	155.2
[M]+	315.97519142	133.7
[M]-	315.97628858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe