CID 139596460

Perfluoro-5-oxohexane-1-sulfonic acid

Structural Information

Molecular Formula
C6HF11O4S
SMILES
C(=O)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)C(F)(F)F
InChI
InChI=1S/C6HF11O4S/c7-2(8,1(18)3(9,10)11)4(12,13)5(14,15)6(16,17)22(19,20)21/h(H,19,20,21)
InChIKey
ORBWMSWREXEFCD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,6,6,6-undecafluoro-5-oxohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

377.942 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.94928 159.5
[M+Na]+ 400.93122 168.0
[M-H]- 376.93472 145.9
[M+NH4]+ 395.97582 154.0
[M+K]+ 416.90516 165.3
[M+H-H2O]+ 360.93926 147.5
[M+HCOO]- 422.94020 166.4
[M+CH3COO]- 436.95585 208.6
[M+Na-2H]- 398.91667 163.0
[M]+ 377.94145 145.1
[M]- 377.94255 145.1
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.