CID 162396478

Dtxsid701033029

Structural Information

Molecular Formula
C15H18F17N2O2S
SMILES
C[N+](C)(C)CCCNCS(=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/C15H18F17N2O2S/c1-34(2,3)6-4-5-33-7-37(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h33H,4-7H2,1-3H3/q+1
InChIKey
GMIRNFHCLVFNSP-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylmethylamino)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

613.0817 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.08898 155.7
[M+Na]+ 636.07092 155.9
[M+NH4]+ 631.11552 156.0
[M+K]+ 652.04486 156.0
[M-H]- 612.07442 155.7
[M+Na-2H]- 634.05637 155.5
[M]+ 613.08115 155.8
[M]- 613.08225 155.8
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.