CID 4456432

755-02-2

Structural Information

Molecular Formula

C₉H₅F₁₅O

SMILES

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

InChI

InChI=1S/C9H5F15O/c10-3(11,1-2-25)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h25H,1-2H2

InChIKey

WOBDSRMWHWAQFO-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28
Patents: 414.0101 Da
Monoisotopic Mass: 5.0
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]+	415.017376	179.0
[M+Na]+	436.999318	187.8
[M-H]-	413.002824	162.3
[M+NH4]+	432.043923	158.1
[M+K]+	452.973258	184.1
[M+H-H2O]+	397.007360	164.8
[M+HCOO]-	459.008301	172.6
[M+CH3COO]-	473.023951	222.2
[M+Na-2H]-	434.984766	181.6
[M]+	414.00955142	155.2
[M]-	414.01064858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe