CID 139597175

Ns00074562

Structural Information

Molecular Formula

C₁₁H₃F₁₇O₄

SMILES

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

InChI

InChI=1S/C11H3F17O4/c12-1(2(29)30)4(13,14)6(17,18)8(21,22)10(25,26)11(27,28)9(23,24)7(19,20)5(15,16)3(31)32/h1H,(H,29,30)(H,31,32)

InChIKey

SVYFBQKZSGNGTM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 521.976 Da
Monoisotopic Mass: 5.1
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]+	522.983276	168.3
[M+Na]+	544.965218	173.0
[M-H]-	520.968724	179.4
[M+NH4]+	540.009823	179.3
[M+K]+	560.939158	181.7
[M+H-H2O]+	504.973260	157.9
[M+HCOO]-	566.974201	181.1
[M+CH3COO]-	580.989851	236.4
[M+Na-2H]-	542.950666	167.4
[M]+	521.97545142	165.5
[M]-	521.97654858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.