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

147
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

literature stripe

Patent stripe

patents stripe