CID 20085883

1,1,2,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-1-ene

Structural Information

Molecular Formula

C₆F₁₂

SMILES

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

InChI

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

InChIKey

ZJXHFKZMJPKCSL-UHFFFAOYSA-N

Compound name

1,1,2,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 299.98083 Da
Monoisotopic Mass: 3.9
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	178.5
[M+Na]+	322.97005	178.8
[M+NH4]+	318.01465	177.8
[M+K]+	338.94399	177.1
[M-H]-	298.97355	173.1
[M+Na-2H]-	320.95550	176.4
[M]+	299.98028	176.8
[M]-	299.98138	176.8

Literature stripe

literature stripe

Patent stripe

patents stripe