CID 208872

1h,6h-perfluorohexane

Structural Information

Molecular Formula

C₆H₂F₁₂

SMILES

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

InChI

InChI=1S/C6H2F12/c7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10/h1-2H

InChIKey

UYDBQWIWVMBDME-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 815
Patents: 301.9965 Da
Monoisotopic Mass: 4.6
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]+	303.00378	178.6
[M+Na]+	324.98572	178.8
[M+NH4]+	320.03032	177.8
[M+K]+	340.95966	177.1
[M-H]-	300.98922	173.1
[M+Na-2H]-	322.97117	176.5
[M]+	301.99595	176.8
[M]-	301.99705	176.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe