CID 139594762

Perfluoro-4-oxopentane-1-sulfonic acid

Structural Information

Molecular Formula
C5HF9O4S
SMILES
C(=O)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)C(F)(F)F
InChI
InChI=1S/C5HF9O4S/c6-2(7,1(15)3(8,9)10)4(11,12)5(13,14)19(16,17)18/h(H,16,17,18)
InChIKey
DONKAOMPIOYYDH-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,5,5,5-nonafluoro-4-oxopentane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.9452 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.95248 189.5
[M+Na]+ 350.93442 189.1
[M+NH4]+ 345.97902 188.0
[M+K]+ 366.90836 187.0
[M-H]- 326.93792 180.1
[M+Na-2H]- 348.91987 185.2
[M]+ 327.94465 186.5
[M]- 327.94575 186.5
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.