CID 86252912

Dtxsid101031499

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

C(=C(F)F)(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)F

InChI

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

InChIKey

NMIIWCRFNNKLNX-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 346
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	151.8
[M+Na]+	338.964958	161.1
[M-H]-	314.968464	138.3
[M+NH4]+	334.009563	165.1
[M+K]+	354.938898	158.5
[M+H-H2O]+	298.973000	138.8
[M+HCOO]-	360.973941	155.1
[M+CH3COO]-	374.989591	205.6
[M+Na-2H]-	336.950406	152.6
[M]+	315.97519142	133.4
[M]-	315.97628858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe