CID 9925956

Perfluoroneopentane

Structural Information

Molecular Formula

C₅F₁₂

SMILES

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

InChI

InChI=1S/C5F12/c6-2(7,8)1(3(9,10)11,4(12,13)14)5(15,16)17

InChIKey

GLSWXDROFHXXOQ-UHFFFAOYSA-N

Compound name

1,1,1,3,3,3-hexafluoro-2,2-bis(trifluoromethyl)propane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 253
Patents: 287.98083 Da
Monoisotopic Mass: 4.8
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]+	288.988106	147.9
[M+Na]+	310.970048	158.3
[M-H]-	286.973554	135.1
[M+NH4]+	306.014653	162.7
[M+K]+	326.943988	155.7
[M+H-H2O]+	270.978090	135.6
[M+HCOO]-	332.979031	151.5
[M+CH3COO]-	346.994681	200.1
[M+Na-2H]-	308.955496	152.1
[M]+	287.98028142	128.8
[M]-	287.98137858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe