CID 11679

Perflisopent

Structural Information

Molecular Formula

C₅F₁₂

SMILES

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

InChI

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

InChIKey

MPEFSWGYIJNMCW-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 501
Patents: 287.98083 Da
Monoisotopic Mass: 4.5
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]+	288.98811	147.8
[M+Na]+	310.97005	158.1
[M-H]-	286.97355	135.0
[M+NH4]+	306.01465	162.5
[M+K]+	326.94399	155.5
[M+H-H2O]+	270.97809	135.4
[M+HCOO]-	332.97903	151.4
[M+CH3COO]-	346.99468	200.7
[M+Na-2H]-	308.95550	152.0
[M]+	287.98028	128.8
[M]-	287.98138	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe