CID 162396507

Dtxsid301033722

Structural Information

Molecular Formula
C17H22F17N2O2S
SMILES
C[N+](C)(C)CCCNCCCS(=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/C17H22F17N2O2S/c1-36(2,3)8-4-6-35-7-5-9-39(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h35H,4-9H2,1-3H3/q+1
InChIKey
XUVGLIBKEOXWNS-UHFFFAOYSA-N
Compound name
3-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)propylamino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

641.11304 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.12032 218.2
[M+Na]+ 664.10226 222.1
[M-H]- 640.10576 228.3
[M+NH4]+ 659.14686 228.3
[M+K]+ 680.07620 231.6
[M+H-H2O]+ 624.11030 200.0
[M+HCOO]- 686.11124 237.8
[M+CH3COO]- 700.12689 256.7
[M+Na-2H]- 662.08771 212.8
[M]+ 641.11249 216.3
[M]- 641.11359 216.3
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.