CID 139596245

Kpflsa_i n=9

Structural Information

Molecular Formula

C₁₀HF₁₉O₄S

SMILES

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

InChI

InChI=1S/C10HF19O4S/c11-1(30)2(12,13)3(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

NKJIPFATBYXESQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 577.9292 Da
Monoisotopic Mass: 5.3
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	176.6
[M+Na]+	600.918418	179.5
[M-H]-	576.921924	186.7
[M+NH4]+	595.963023	188.2
[M+K]+	616.892358	190.3
[M+H-H2O]+	560.926460	164.0
[M+HCOO]-	622.927401	194.6
[M+CH3COO]-	636.943051	242.3
[M+Na-2H]-	598.903866	175.8
[M]+	577.92865142	177.9
[M]-	577.92974858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.