CID 176514730

K-8:2 ftsa

Structural Information

Molecular Formula
C10H3F17O4S
SMILES
C(C(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O
InChI
InChI=1S/C10H3F17O4S/c11-3(12,2(28)1-32(29,30)31)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,29,30,31)
InChIKey
ITABYZMWIPSIJG-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-oxodecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.94806 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.95534 172.4
[M+Na]+ 564.93728 175.8
[M-H]- 540.94078 181.1
[M+NH4]+ 559.98188 183.2
[M+K]+ 580.91122 185.0
[M+H-H2O]+ 524.94532 160.6
[M+HCOO]- 586.94626 190.8
[M+CH3COO]- 600.96191 236.7
[M+Na-2H]- 562.92273 170.9
[M]+ 541.94751 173.6
[M]- 541.94861 173.6
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.