CID 2782406

67899-37-0

Structural Information

Molecular Formula

C₆F₁₂

SMILES

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

InChI

InChI=1S/C6F12/c7-1(2(8)4(11,12)13)3(9,10)5(14,15)6(16,17)18/b2-1+

InChIKey

JBDBBTPNNYKSQX-OWOJBTEDSA-N

Compound name

(E)-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluorohex-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 235
Patents: 299.98083 Da
Monoisotopic Mass: 3.8
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]+	300.98811	148.7
[M+Na]+	322.97005	158.2
[M-H]-	298.97355	135.4
[M+NH4]+	318.01465	162.8
[M+K]+	338.94399	155.1
[M+H-H2O]+	282.97809	135.9
[M+HCOO]-	344.97903	151.8
[M+CH3COO]-	358.99468	203.2
[M+Na-2H]-	320.95550	149.4
[M]+	299.98028	128.9
[M]-	299.98138	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe