CID 2776271

1h,8h-perfluorooctane

Structural Information

Molecular Formula

C₈H₂F₁₆

SMILES

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

InChI

InChI=1S/C8H2F16/c9-1(10)3(13,14)5(17,18)7(21,22)8(23,24)6(19,20)4(15,16)2(11)12/h1-2H

InChIKey

JCRVQXKRULILSR-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 521
Patents: 401.9901 Da
Monoisotopic Mass: 6.0
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]+	402.99738	172.6
[M+Na]+	424.97932	181.7
[M-H]-	400.98282	156.1
[M+NH4]+	420.02392	161.5
[M+K]+	440.95326	178.4
[M+H-H2O]+	384.98736	157.4
[M+HCOO]-	446.98830	169.7
[M+CH3COO]-	461.00395	224.2
[M+Na-2H]-	422.96477	172.0
[M]+	401.98955	147.3
[M]-	401.99065	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe