CID 4049229

N,n'-bis(perfluorononanoyl)1,12-dodecandiamine

Structural Information

Molecular Formula
C30H26F34N2O2
SMILES
C(CCCCCCNC(=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)CCCCCNC(=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/C30H26F34N2O2/c31-15(32,17(35,36)19(39,40)21(43,44)23(47,48)25(51,52)27(55,56)29(59,60)61)13(67)65-11-9-7-5-3-1-2-4-6-8-10-12-66-14(68)16(33,34)18(37,38)20(41,42)22(45,46)24(49,50)26(53,54)28(57,58)30(62,63)64/h1-12H2,(H,65,67)(H,66,68)
InChIKey
RYMJFSVRYUFPPM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[12-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)dodecyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1092.1451 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1093.1524 152.5
[M+Na]+ 1115.1343 152.5
[M+NH4]+ 1110.1789 152.5
[M+K]+ 1131.1083 152.5
[M-H]- 1091.1378 152.5
[M+Na-2H]- 1113.1198 152.5
[M]+ 1092.1446 152.5
[M]- 1092.1456 152.5
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.