CID 139596988

Qapfsmk n=5

Structural Information

Molecular Formula
C17H28F11N2O8S2
SMILES
C[N+](C)(CCC(CO)N(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CO)O
InChI
InChI=1S/C17H27F11N2O8S2/c1-30(2,8-12(33)10-32)6-4-11(9-31)29(5-3-7-39(34,35)36)40(37,38)17(27,28)15(22,23)13(18,19)14(20,21)16(24,25)26/h11-12,31-33H,3-10H2,1-2H3/p+1
InChIKey
RVVWOEGMAPPRRS-UHFFFAOYSA-O
Compound name
2,3-dihydroxypropyl-[4-hydroxy-3-[3-sulfopropyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]butyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

661.11115 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.11843 212.1
[M+Na]+ 684.10037 211.7
[M-H]- 660.10387 222.8
[M+NH4]+ 679.14497 221.4
[M+K]+ 700.07431 219.3
[M+H-H2O]+ 644.10841 194.4
[M+HCOO]- 706.10935 220.8
[M+CH3COO]- 720.12500 249.2
[M+Na-2H]- 682.08582 203.2
[M]+ 661.11060 211.4
[M]- 661.11170 211.4
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.