CID 138395079

1-[2-[ethyl[(perfluorooctyl)sulfonyl]amino]ethyl] butanedioate potassium

Structural Information

Molecular Formula
C16H14F17NO6S
SMILES
CCN(CCOC(=O)CCC(=O)O)S(=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/C16H14F17NO6S/c1-2-34(5-6-40-8(37)4-3-7(35)36)41(38,39)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h2-6H2,1H3,(H,35,36)
InChIKey
JGCPFJWTHOITQY-UHFFFAOYSA-N
Compound name
4-[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

671.02704 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 672.03432 155.6
[M+Na]+ 694.01626 155.8
[M+NH4]+ 689.06086 155.9
[M+K]+ 709.99020 155.9
[M-H]- 670.01976 155.6
[M+Na-2H]- 692.00171 155.5
[M]+ 671.02649 155.7
[M]- 671.02759 155.7
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.