CID 14496522

Perfluorooctanesulfonamido ethanol

Structural Information

Molecular Formula
C10H6F17NO3S
SMILES
C(CO)NS(=O)(=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
InChI
InChI=1S/C10H6F17NO3S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)32(30,31)28-1-2-29/h28-29H,1-2H2
InChIKey
AZJIYAIYELWMPL-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

158
Patents

542.9797 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.98698 170.0
[M+Na]+ 565.96892 173.6
[M-H]- 541.97242 178.0
[M+NH4]+ 561.01352 177.9
[M+K]+ 581.94286 182.1
[M+H-H2O]+ 525.97696 156.8
[M+HCOO]- 587.97790 188.4
[M+CH3COO]- 601.99355 239.6
[M+Na-2H]- 563.95437 168.0
[M]+ 542.97915 169.0
[M]- 542.98025 169.0
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.