CID 139595750

Perfluoro-9-oxodecane-1-sulfonic acid

Structural Information

Molecular Formula

C₁₀HF₁₉O₄S

SMILES

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

InChI

InChI=1S/C10HF19O4S/c11-2(12,1(30)3(13,14)15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)34(31,32)33/h(H,31,32,33)

InChIKey

KITFIULXZKOAJA-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,10-nonadecafluoro-9-oxodecane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 577.9292 Da
Monoisotopic Mass: 5.4
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]+	578.936476	176.9
[M+Na]+	600.918418	179.9
[M-H]-	576.921924	187.1
[M+NH4]+	595.963023	188.5
[M+K]+	616.892358	190.5
[M+H-H2O]+	560.926460	164.3
[M+HCOO]-	622.927401	195.0
[M+CH3COO]-	636.943051	241.8
[M+Na-2H]-	598.903866	176.1
[M]+	577.92865142	178.1
[M]-	577.92974858	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.