CID 3013857

356-47-8

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

C1(C(C(OC(C1(F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F

InChI

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

InChIKey

ZCPSRQQUNLMQMM-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)oxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 315.97574 Da
Monoisotopic Mass: 4.1
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]+	316.983016	141.0
[M+Na]+	338.964958	156.0
[M-H]-	314.968464	133.3
[M+NH4]+	334.009563	163.4
[M+K]+	354.938898	154.4
[M+H-H2O]+	298.973000	131.7
[M+HCOO]-	360.973941	147.4
[M+CH3COO]-	374.989591	204.4
[M+Na-2H]-	336.950406	146.8
[M]+	315.97519142	125.9
[M]-	315.97628858	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe