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
2
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 150.0
[M+Na]+ 350.93442 158.7
[M-H]- 326.93792 138.4
[M+NH4]+ 345.97902 162.5
[M+K]+ 366.90836 156.2
[M+H-H2O]+ 310.94246 139.3
[M+HCOO]- 372.94340 150.9
[M+CH3COO]- 386.95905 199.2
[M+Na-2H]- 348.91987 153.6
[M]+ 327.94465 138.9
[M]- 327.94575 138.9
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.