CID 162396585

Dtxsid301032512

Structural Information

Molecular Formula
C24H36F17N2O6S
SMILES
CC(C)N(CCOCCOCCOCCOCC[N+](C)(C)C)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/C24H36F17N2O6S/c1-16(2)42(6-8-46-10-12-48-14-15-49-13-11-47-9-7-43(3,4)5)50(44,45)24(40,41)22(35,36)20(31,32)18(27,28)17(25,26)19(29,30)21(33,34)23(37,38)39/h16H,6-15H2,1-5H3/q+1
InChIKey
DFNIXNBGKDAVPX-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propan-2-yl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

803.2023 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 804.20958 250.0
[M+Na]+ 826.19152 252.6
[M-H]- 802.19502 263.0
[M+NH4]+ 821.23612 266.5
[M+K]+ 842.16546 265.1
[M+H-H2O]+ 786.19956 233.3
[M+HCOO]- 848.20050 263.8
[M+CH3COO]- 862.21615 280.6
[M+Na-2H]- 824.17697 242.1
[M]+ 803.20175 250.3
[M]- 803.20285 250.3
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.