CID 139597361

4-(dimethylamino)-2-{[(perfluoropentyl)sulfonyl]amino}butanoic acid

Structural Information

Molecular Formula
C11H13F11N2O4S
SMILES
CN(C)CCC(C(=O)O)NS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H13F11N2O4S/c1-24(2)4-3-5(6(25)26)23-29(27,28)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h5,23H,3-4H2,1-2H3,(H,25,26)
InChIKey
URGNYSYSQBGAJW-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

478.04202 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.04930 175.4
[M+Na]+ 501.03124 183.2
[M-H]- 477.03474 185.2
[M+NH4]+ 496.07584 185.8
[M+K]+ 517.00518 186.7
[M+H-H2O]+ 461.03928 167.1
[M+HCOO]- 523.04022 187.0
[M+CH3COO]- 537.05587 235.3
[M+Na-2H]- 499.01669 172.3
[M]+ 478.04147 173.0
[M]- 478.04257 173.0
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.