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]+ 542.955336 172.4
[M+Na]+ 564.937278 175.8
[M-H]- 540.940784 181.1
[M+NH4]+ 559.981883 183.2
[M+K]+ 580.911218 185.0
[M+H-H2O]+ 524.945320 160.6
[M+HCOO]- 586.946261 190.8
[M+CH3COO]- 600.961911 236.7
[M+Na-2H]- 562.922726 170.9
[M]+ 541.94751142 173.6
[M]- 541.94860858 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.