CID 2782410

Dtxsid90895386

Structural Information

Molecular Formula

C₈F₁₆

SMILES

C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F

InChI

InChI=1S/C8F16/c9-1(2(10)4(13,14)15)3(11,12)5(16,17)6(18,19)7(20,21)8(22,23)24/b2-1+

InChIKey

RGBFMLVTZCWFSL-OWOJBTEDSA-N

Compound name

(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooct-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 59
Patents: 399.97446 Da
Monoisotopic Mass: 5.2
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]+	400.98174	171.2
[M+Na]+	422.96368	180.8
[M-H]-	398.96718	154.9
[M+NH4]+	418.00828	161.2
[M+K]+	438.93762	177.0
[M+H-H2O]+	382.97172	156.2
[M+HCOO]-	444.97266	169.9
[M+CH3COO]-	458.98831	221.5
[M+Na-2H]-	420.94913	170.7
[M]+	399.97391	145.0
[M]-	399.97501	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe