CID 22002951

1,1,1,2,2,3,3,4,4-nonafluorooctane

Structural Information

Molecular Formula

C₈H₉F₉

SMILES

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

InChI

InChI=1S/C8H9F9/c1-2-3-4-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-4H2,1H3

InChIKey

DHVISCLQILVWLM-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4-nonafluorooctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 97
Patents: 276.05606 Da
Monoisotopic Mass: 5.1
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]+	277.06334	151.9
[M+Na]+	299.04528	160.4
[M-H]-	275.04878	141.3
[M+NH4]+	294.08988	167.5
[M+K]+	315.01922	157.7
[M+H-H2O]+	259.05332	141.0
[M+HCOO]-	321.05426	159.1
[M+CH3COO]-	335.06991	200.8
[M+Na-2H]-	297.03073	155.5
[M]+	276.05551	139.2
[M]-	276.05661	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe