CID 16212698

932710-51-5

Structural Information

Molecular Formula
C13H8F13NO3
SMILES
C1CC(=O)N(C1=O)C(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H8F13NO3/c14-8(15,4-3-7(30)27-5(28)1-2-6(27)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4H2
InChIKey
HHEVANWCCJRBAP-UHFFFAOYSA-N
Compound name
1-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

473.02966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.03694 190.1
[M+Na]+ 496.01888 198.6
[M-H]- 472.02238 177.8
[M+NH4]+ 491.06348 176.5
[M+K]+ 511.99282 194.9
[M+H-H2O]+ 456.02692 176.5
[M+HCOO]- 518.02786 189.7
[M+CH3COO]- 532.04351 230.8
[M+Na-2H]- 494.00433 190.2
[M]+ 473.02911 170.8
[M]- 473.03021 170.8
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.