CID 110557

68555-76-0

Structural Information

Molecular Formula
C10H8F15NO3S
SMILES
CN(CCO)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8F15NO3S/c1-26(2-3-27)30(28,29)10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h27H,2-3H2,1H3
InChIKey
UIZUTEDYGNRNSW-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methylheptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

506.99854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.00582 171.8
[M+Na]+ 529.98776 177.1
[M-H]- 505.99126 179.8
[M+NH4]+ 525.03236 181.8
[M+K]+ 545.96170 184.3
[M+H-H2O]+ 489.99580 161.0
[M+HCOO]- 551.99674 189.5
[M+CH3COO]- 566.01239 237.0
[M+Na-2H]- 527.97321 169.8
[M]+ 506.99799 171.8
[M]- 506.99909 171.8
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