CID 220213

Dodecafluorooxepane

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

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

InChI

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

InChIKey

WDXFZSLMIIPQCF-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooxepane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
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	113.7
[M+Na]+	338.964958	127.5
[M-H]-	314.968464	108.2
[M+NH4]+	334.009563	136.1
[M+K]+	354.938898	127.9
[M+H-H2O]+	298.973000	104.6
[M+HCOO]-	360.973941	121.9
[M+CH3COO]-	374.989591	206.6
[M+Na-2H]-	336.950406	120.8
[M]+	315.97519142	98.5
[M]-	315.97628858	98.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe