CID 4148151

N,n'-bis(perfluoropentanoyl)1,2-ethanediamine

Structural Information

Molecular Formula
C12H6F18N2O2
SMILES
C(CNC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H6F18N2O2/c13-5(14,7(17,18)9(21,22)11(25,26)27)3(33)31-1-2-32-4(34)6(15,16)8(19,20)10(23,24)12(28,29)30/h1-2H2,(H,31,33)(H,32,34)
InChIKey
QVRJRHUMFTVYEN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

552.01416 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.02144 176.5
[M+Na]+ 575.00338 184.7
[M-H]- 551.00688 189.2
[M+NH4]+ 570.04798 187.1
[M+K]+ 590.97732 191.8
[M+H-H2O]+ 535.01142 165.7
[M+HCOO]- 597.01236 190.7
[M+CH3COO]- 611.02801 247.5
[M+Na-2H]- 572.98883 176.1
[M]+ 552.01361 170.0
[M]- 552.01471 170.0
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.