CID 175152

G5t3l6xfk4

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
3
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 208.4
[M+Na]+ 729.03562 212.0
[M-H]- 705.03912 220.4
[M+NH4]+ 724.08022 222.9
[M+K]+ 745.00956 223.8
[M+H-H2O]+ 689.04366 195.6
[M+HCOO]- 751.04460 221.7
[M+CH3COO]- 765.06025 266.6
[M+Na-2H]- 727.02107 204.8
[M]+ 706.04585 210.6
[M]- 706.04695 210.6
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.