CID 175465399

6-bromo-2-(2,6-dioxopiperidin-3-yl)-4-fluoro-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C13H8BrFN2O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC(=C3)Br)F
InChI
InChI=1S/C13H8BrFN2O4/c14-5-3-6-10(7(15)4-5)13(21)17(12(6)20)8-1-2-9(18)16-11(8)19/h3-4,8H,1-2H2,(H,16,18,19)
InChIKey
BMTLTPIYSRRPEU-UHFFFAOYSA-N
Compound name
6-bromo-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

353.96515 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.97243 169.2
[M+Na]+ 376.95437 182.3
[M-H]- 352.95787 174.8
[M+NH4]+ 371.99897 185.7
[M+K]+ 392.92831 169.6
[M+H-H2O]+ 336.96241 167.7
[M+HCOO]- 398.96335 182.7
[M+CH3COO]- 412.97900 206.4
[M+Na-2H]- 374.93982 169.5
[M]+ 353.96460 184.3
[M]- 353.96570 184.3
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.