CID 67738

Decafluorocyclohexene

Structural Information

Molecular Formula

C₆F₁₀

SMILES

C1(=C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)F)F

InChI

InChI=1S/C6F10/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10

InChIKey

ZFFLXJVVPHACEG-UHFFFAOYSA-N

Compound name

1,2,3,3,4,4,5,5,6,6-decafluorocyclohexene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1027
Patents: 261.98404 Da
Monoisotopic Mass: 2.7
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]+	262.99132	130.6
[M+Na]+	284.97326	146.0
[M-H]-	260.97676	124.4
[M+NH4]+	280.01786	155.2
[M+K]+	300.94720	142.5
[M+H-H2O]+	244.98130	121.4
[M+HCOO]-	306.98224	142.5
[M+CH3COO]-	320.99789	197.4
[M+Na-2H]-	282.95871	134.4
[M]+	261.98349	117.7
[M]-	261.98459	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe