CID 2776232

20015-46-7

Structural Information

Molecular Formula

C₉H₅F₁₅O

SMILES

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

InChI

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

InChIKey

WVZPXINSJOBSTI-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 74
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	179.1
[M+Na]+	436.999318	188.0
[M-H]-	413.002824	162.4
[M+NH4]+	432.043923	158.5
[M+K]+	452.973258	184.3
[M+H-H2O]+	397.007360	164.9
[M+HCOO]-	459.008301	173.1
[M+CH3COO]-	473.023951	221.6
[M+Na-2H]-	434.984766	181.7
[M]+	414.00955142	155.3
[M]-	414.01064858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe