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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.93648 176.9
[M+Na]+ 600.91842 179.9
[M-H]- 576.92192 187.1
[M+NH4]+ 595.96302 188.5
[M+K]+ 616.89236 190.5
[M+H-H2O]+ 560.92646 164.3
[M+HCOO]- 622.92740 195.0
[M+CH3COO]- 636.94305 241.8
[M+Na-2H]- 598.90387 176.1
[M]+ 577.92865 178.1
[M]- 577.92975 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.