CID 71651780

1404193-88-9

Structural Information

Molecular Formula

C₈H₇F₁₁O

SMILES

C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CO

InChI

InChI=1S/C8H7F11O/c9-4(10,2-1-3-20)5(11,12)6(13,14)7(15,16)8(17,18)19/h20H,1-3H2

InChIKey

HANSJPPGCRVCPJ-UHFFFAOYSA-N

Compound name

4,4,5,5,6,6,7,7,8,8,8-undecafluorooctan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 328.03214 Da
Monoisotopic Mass: 4.1
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]+	329.03942	161.1
[M+Na]+	351.02136	169.5
[M-H]-	327.02486	147.3
[M+NH4]+	346.06596	173.6
[M+K]+	366.99530	166.2
[M+H-H2O]+	311.02940	149.1
[M+HCOO]-	373.03034	163.5
[M+CH3COO]-	387.04599	206.6
[M+Na-2H]-	349.00681	164.2
[M]+	328.03159	144.2
[M]-	328.03269	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe