CID 162396475

Dtxsid301033734

Structural Information

Molecular Formula
C30H30F34N2O7S2
SMILES
CCCN(CCOCCOCCOCCN(CCC)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)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/C30H30F34N2O7S2/c1-3-5-65(74(67,68)29(61,62)25(51,52)21(43,44)17(35,36)15(31,32)19(39,40)23(47,48)27(55,56)57)7-9-71-11-13-73-14-12-72-10-8-66(6-4-2)75(69,70)30(63,64)26(53,54)22(45,46)18(37,38)16(33,34)20(41,42)24(49,50)28(58,59)60/h3-14H2,1-2H3
InChIKey
BFQQKAXEMZSLOI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1240.0951 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1241.1024 287.5
[M+Na]+ 1263.0843 287.4
[M-H]- 1239.0878 302.4
[M+NH4]+ 1258.1289 303.0
[M+K]+ 1279.0583 304.9
[M+H-H2O]+ 1223.0924 274.3
[M+HCOO]- 1285.0933 295.4
[M+CH3COO]- 1299.1090 295.3
[M+Na-2H]- 1261.0698 285.7
[M]+ 1240.0946 288.6
[M]- 1240.0956 288.6
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.