CID 74105

1584-03-8

Structural Information

Molecular Formula

C₆F₁₂

SMILES

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

InChI

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

InChIKey

FAEGGADNHFKDQX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 965
Patents: 299.98083 Da
Monoisotopic Mass: 4.4
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]+	300.988106	148.8
[M+Na]+	322.970048	158.3
[M-H]-	298.973554	135.5
[M+NH4]+	318.014653	163.0
[M+K]+	338.943988	155.3
[M+H-H2O]+	282.978090	136.1
[M+HCOO]-	344.979031	152.0
[M+CH3COO]-	358.994681	202.6
[M+Na-2H]-	320.955496	149.5
[M]+	299.98028142	128.9
[M]-	299.98137858	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe