CID 11294045

852527-41-4

Structural Information

Molecular Formula
C13H8F13NO2
SMILES
C1=CC(=O)N(C1=O)CCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H8F13NO2/c14-8(15,4-1-5-27-6(28)2-3-7(27)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2-3H,1,4-5H2
InChIKey
XCBJTYHAGWXMIM-UHFFFAOYSA-N
Compound name
1-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

457.03476 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.04204 189.6
[M+Na]+ 480.02398 199.0
[M-H]- 456.02748 177.5
[M+NH4]+ 475.06858 198.1
[M+K]+ 495.99792 194.6
[M+H-H2O]+ 440.03202 175.4
[M+HCOO]- 502.03296 188.5
[M+CH3COO]- 516.04861 229.5
[M+Na-2H]- 478.00943 190.6
[M]+ 457.03421 171.6
[M]- 457.03531 171.6
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

patents stripe