CID 67730

1h-perfluorohexane

Structural Information

Molecular Formula

C₆HF₁₃

SMILES

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

InChI

InChI=1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H

InChIKey

XJSRKJAHJGCPGC-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 11694
Patents: 319.98706 Da
Monoisotopic Mass: 4.9
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]+	320.994336	154.5
[M+Na]+	342.976278	164.0
[M-H]-	318.979784	140.4
[M+NH4]+	338.020883	167.6
[M+K]+	358.950218	161.3
[M+H-H2O]+	302.984320	141.1
[M+HCOO]-	364.985261	155.8
[M+CH3COO]-	379.000911	208.4
[M+Na-2H]-	340.961726	156.5
[M]+	319.98651142	133.9
[M]-	319.98760858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe