CID 175152

72785-08-1

Structural Information

Molecular Formula
C16H19F17N2O5S2
SMILES
CN(C)CCCN(CCCS(=O)(=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/C16H19F17N2O5S2/c1-34(2)5-3-6-35(7-4-8-41(36,37)38)42(39,40)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/h3-8H2,1-2H3,(H,36,37,38)
InChIKey
UUBYZMXGONPVTR-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

706.0464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.05368 155.8
[M+Na]+ 729.03562 155.9
[M+NH4]+ 724.08022 156.0
[M+K]+ 745.00956 156.1
[M-H]- 705.03912 155.8
[M+Na-2H]- 727.02107 155.6
[M]+ 706.04585 155.9
[M]- 706.04695 155.9
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.