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

272
Patents

294.04523 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05251 168.2
[M+Na]+ 317.03445 177.8
[M+NH4]+ 312.07905 172.4
[M+K]+ 333.00839 174.9
[M-H]- 293.03795 165.7
[M+Na-2H]- 315.01990 168.6
[M]+ 294.04468 168.2
[M]- 294.04578 168.2
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