CID 139596733

Qapfsmi n=5

Structural Information

Molecular Formula
C15H24F11N2O6S2
SMILES
C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C15H23F11N2O6S2/c1-28(2,8-9-29)7-3-5-27(6-4-10-35(30,31)32)36(33,34)15(25,26)13(20,21)11(16,17)12(18,19)14(22,23)24/h29H,3-10H2,1-2H3/p+1
InChIKey
QCCXYHHEWZOHKF-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-dimethyl-[3-[3-sulfopropyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

601.09 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.09728 205.4
[M+Na]+ 624.07922 207.4
[M-H]- 600.08272 214.0
[M+NH4]+ 619.12382 214.9
[M+K]+ 640.05316 213.2
[M+H-H2O]+ 584.08726 188.8
[M+HCOO]- 646.08820 222.4
[M+CH3COO]- 660.10385 243.8
[M+Na-2H]- 622.06467 198.0
[M]+ 601.08945 206.1
[M]- 601.09055 206.1
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.