CID 165362414

Dtxsid901347256

Structural Information

Molecular Formula

C₈H₃F₁₃O₂

SMILES

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

InChI

InChI=1S/C8H3F13O2/c9-3(10,2(23)1-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2,23H

InChIKey

JODCVAUVMXNJNF-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-hydroxyoctanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 377.99255 Da
Monoisotopic Mass: 3.6
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]+	378.999826	166.8
[M+Na]+	400.981768	175.6
[M-H]-	376.985274	151.6
[M+NH4]+	396.026373	153.1
[M+K]+	416.955708	172.7
[M+H-H2O]+	360.989810	153.9
[M+HCOO]-	422.990751	165.4
[M+CH3COO]-	437.006401	214.6
[M+Na-2H]-	398.967216	169.5
[M]+	377.99200142	146.4
[M]-	377.99309858	146.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.