CID 176514733

6:2 ftsa ketone

Structural Information

Molecular Formula
C8H3F13O4S
SMILES
C(C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O
InChI
InChI=1S/C8H3F13O4S/c9-3(10,2(22)1-26(23,24)25)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H2,(H,23,24,25)
InChIKey
RYYZCEGLQCTTCQ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-oxooctane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.95444 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.96172 157.1
[M+Na]+ 464.94366 161.7
[M-H]- 440.94716 163.0
[M+NH4]+ 459.98826 165.9
[M+K]+ 480.91760 166.8
[M+H-H2O]+ 424.95170 160.4
[M+HCOO]- 486.95264 176.5
[M+CH3COO]- 500.96829 220.3
[M+Na-2H]- 462.92911 177.0
[M]+ 441.95389 158.6
[M]- 441.95499 158.6
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.