CID 139596417

Pfsmbtb n=5

Structural Information

Molecular Formula
C13H18F11N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(=O)O
InChI
InChI=1S/C13H17F11N2O4S/c1-26(2,7-4-8(27)28)6-3-5-25-31(29,30)13(23,24)11(18,19)9(14,15)10(16,17)12(20,21)22/h25H,3-7H2,1-2H3/p+1
InChIKey
OJVQPNOEIBXLJJ-UHFFFAOYSA-O
Compound name
2-carboxyethyl-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.08118 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.08846 171.3
[M+Na]+ 530.07040 172.4
[M+NH4]+ 525.11500 173.2
[M+K]+ 546.04434 173.7
[M-H]- 506.07390 170.7
[M+Na-2H]- 528.05585 170.0
[M]+ 507.08063 171.8
[M]- 507.08173 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

No patent data available for this compound.