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

1
Annotation Hits: 0
References: 36
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]+	316.98302	171.3
[M+Na]+	338.96496	172.0
[M+NH4]+	334.00956	172.2
[M+K]+	354.93890	169.0
[M-H]-	314.96846	167.5
[M+Na-2H]-	336.95041	171.5
[M]+	315.97519	170.3
[M]-	315.97629	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe