CID 165362544

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-hydroxydecanoic acid

Structural Information

Molecular Formula

C₁₀H₃F₁₇O₃

SMILES

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

InChI

InChI=1S/C10H3F17O3/c11-3(12,1(28)2(29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1,28H,(H,29,30)

InChIKey

PTSJFWHEUPNFFL-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-hydroxydecanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 493.98108 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]+	494.988356	162.8
[M+Na]+	516.970298	167.3
[M-H]-	492.973804	171.8
[M+NH4]+	512.014903	171.7
[M+K]+	532.944238	175.5
[M+H-H2O]+	476.978340	151.9
[M+HCOO]-	538.979281	177.6
[M+CH3COO]-	552.994931	232.0
[M+Na-2H]-	514.955746	161.9
[M]+	493.98053142	159.9
[M]-	493.98162858	159.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.