CID 165362539

Dtxsid001348776

Structural Information

Molecular Formula
C12H10F15NO4S
SMILES
C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)NCCS(=O)(=O)O
InChI
InChI=1S/C12H10F15NO4S/c13-6(14,2-1-5(29)28-3-4-33(30,31)32)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1-4H2,(H,28,29)(H,30,31,32)
InChIKey
OYMHNAGKAKNMTM-UHFFFAOYSA-N
Compound name
2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoylamino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.0091 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.01638 176.8
[M+Na]+ 571.99832 181.0
[M-H]- 548.00182 185.1
[M+NH4]+ 567.04292 185.8
[M+K]+ 587.97226 188.5
[M+H-H2O]+ 532.00636 164.9
[M+HCOO]- 594.00730 193.1
[M+CH3COO]- 608.02295 240.1
[M+Na-2H]- 569.98377 173.5
[M]+ 549.00855 175.5
[M]- 549.00965 175.5
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.