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
2
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 258.6
[M+Na]+ 1115.1343 260.7
[M-H]- 1091.1378 273.1
[M+NH4]+ 1110.1789 271.3
[M+K]+ 1131.1083 277.7
[M+H-H2O]+ 1075.1424 244.7
[M+HCOO]- 1137.1433 267.0
[M+CH3COO]- 1151.1590 292.4
[M+Na-2H]- 1113.1198 258.5
[M]+ 1092.1446 252.7
[M]- 1092.1456 252.7
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.