CID 2782405

1h,1h-perfluorohexan-1-ol

Structural Information

Molecular Formula

C₆H₃F₁₁O

SMILES

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

InChI

InChI=1S/C6H3F11O/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h18H,1H2

InChIKey

QZFZPVVDBGXQTB-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 47
References: 382
Patents: 300.00082 Da
Monoisotopic Mass: 3.3
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]+	301.00810	151.7
[M+Na]+	322.99004	161.0
[M-H]-	298.99354	138.3
[M+NH4]+	318.03464	165.3
[M+K]+	338.96398	158.1
[M+H-H2O]+	282.99808	140.1
[M+HCOO]-	344.99902	154.8
[M+CH3COO]-	359.01467	201.0
[M+Na-2H]-	320.97549	155.9
[M]+	300.00027	134.2
[M]-	300.00137	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe