CID 139597623

Etfhpspeg, m=4

Structural Information

Molecular Formula
C19H26F15NO7S
SMILES
CCN(CCOCCOCCOCCOCCO)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/C19H26F15NO7S/c1-2-35(3-5-39-7-9-41-11-12-42-10-8-40-6-4-36)43(37,38)19(33,34)17(28,29)15(24,25)13(20,21)14(22,23)16(26,27)18(30,31)32/h36H,2-12H2,1H3
InChIKey
WGVDZTMWSOQBMD-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

697.119 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 698.12628 209.8
[M+Na]+ 720.10822 211.8
[M-H]- 696.11172 217.1
[M+NH4]+ 715.15282 222.0
[M+K]+ 736.08216 222.0
[M+H-H2O]+ 680.11626 198.2
[M+HCOO]- 742.11720 223.9
[M+CH3COO]- 756.13285 265.7
[M+Na-2H]- 718.09367 202.6
[M]+ 697.11845 210.4
[M]- 697.11955 210.4
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.