CID 19780784

(e)-1,1,1,2,2,5,5,6,6,6-decafluoro-3-hexene

Structural Information

Molecular Formula

C₆H₂F₁₀

SMILES

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

InChI

InChI=1S/C6H2F10/c7-3(8,5(11,12)13)1-2-4(9,10)6(14,15)16/h1-2H/b2-1+

InChIKey

LGOQFJQJNHYWHK-OWOJBTEDSA-N

Compound name

(E)-1,1,1,2,2,5,5,6,6,6-decafluorohex-3-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 224
Patents: 263.9997 Da
Monoisotopic Mass: 4.0
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]+	265.00698	144.4
[M+Na]+	286.98892	154.2
[M-H]-	262.99242	133.1
[M+NH4]+	282.03352	160.4
[M+K]+	302.96286	151.0
[M+H-H2O]+	246.99696	133.1
[M+HCOO]-	308.99790	151.4
[M+CH3COO]-	323.01355	195.7
[M+Na-2H]-	284.97437	148.4
[M]+	263.99915	128.7
[M]-	264.00025	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe