CID 83771

13846-22-5

Structural Information

Molecular Formula

C₇F₁₂O₂

SMILES

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

InChI

InChI=1S/C7F12O2/c8-1(9)3(12)20-6(16,17)5(14,15)7(18,19)21-4(13)2(10)11

InChIKey

KGJWCQOEERZJMB-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3-hexafluoro-1,3-bis(1,2,2-trifluoroethenoxy)propane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 158
Patents: 343.97067 Da
Monoisotopic Mass: 4.4
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]+	344.977946	156.2
[M+Na]+	366.959888	164.7
[M-H]-	342.963394	142.3
[M+NH4]+	362.004493	168.2
[M+K]+	382.933828	162.1
[M+H-H2O]+	326.967930	142.7
[M+HCOO]-	388.968871	159.4
[M+CH3COO]-	402.984521	210.2
[M+Na-2H]-	364.945336	153.7
[M]+	343.97012142	138.6
[M]-	343.97121858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe