CID 65968512

1496997-41-1

Structural Information

Molecular Formula
C13H8F2N2O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)F
InChI
InChI=1S/C13H8F2N2O4/c14-7-3-5-6(4-8(7)15)13(21)17(12(5)20)9-1-2-10(18)16-11(9)19/h3-4,9H,1-2H2,(H,16,18,19)
InChIKey
AGHXYRKTAZEQQW-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

294.04523 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.052506 161.0
[M+Na]+ 317.034448 172.0
[M-H]- 293.037954 162.9
[M+NH4]+ 312.079053 176.2
[M+K]+ 333.008388 166.4
[M+H-H2O]+ 277.042490 152.2
[M+HCOO]- 339.043431 175.5
[M+CH3COO]- 353.059081 200.3
[M+Na-2H]- 315.019896 159.6
[M]+ 294.04468142 156.4
[M]- 294.04577858 156.4
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