CID 139597148

Qapfsmd n=8

Structural Information

Molecular Formula
C15H18F17N2O3S
SMILES
C[N+](C)(CCCNS(=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)CCO
InChI
InChI=1S/C15H18F17N2O3S/c1-34(2,6-7-35)5-3-4-33-38(36,37)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/h33,35H,3-7H2,1-2H3/q+1
InChIKey
SRLSHPKHTWDZSN-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

629.07666 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.08394 208.5
[M+Na]+ 652.06588 211.5
[M-H]- 628.06938 219.2
[M+NH4]+ 647.11048 217.4
[M+K]+ 668.03982 220.3
[M+H-H2O]+ 612.07392 189.7
[M+HCOO]- 674.07486 227.4
[M+CH3COO]- 688.09051 251.5
[M+Na-2H]- 650.05133 203.3
[M]+ 629.07611 205.9
[M]- 629.07721 205.9
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.