CID 139595003

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-(2-hydroxyethyl)hexane-1-sulfonamide

Structural Information

Molecular Formula
C8H6F13NO3S
SMILES
C(CO)NS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F13NO3S/c9-3(10,5(13,14)7(17,18)19)4(11,12)6(15,16)8(20,21)26(24,25)22-1-2-23/h22-23H,1-2H2
InChIKey
FYLNQBRDGGUBGA-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

442.98608 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.99336 177.3
[M+Na]+ 465.97530 162.5
[M-H]- 441.97880 162.7
[M+NH4]+ 461.01990 163.3
[M+K]+ 481.94924 180.7
[M+H-H2O]+ 425.98334 163.1
[M+HCOO]- 487.98428 176.8
[M+CH3COO]- 501.99993 223.3
[M+Na-2H]- 463.96075 181.1
[M]+ 442.98553 156.8
[M]- 442.98663 156.8
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

patents stripe