CID 162422175

2803445-69-2

Structural Information

Molecular Formula
C13H8BrFN2O4
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)Br)F
InChI
InChI=1S/C13H8BrFN2O4/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
YIDMXKLYNAEIDJ-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.96515 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.972426 169.2
[M+Na]+ 376.954368 182.3
[M-H]- 352.957874 174.8
[M+NH4]+ 371.998973 185.7
[M+K]+ 392.928308 169.6
[M+H-H2O]+ 336.962410 167.7
[M+HCOO]- 398.963351 182.7
[M+CH3COO]- 412.979001 206.4
[M+Na-2H]- 374.939816 169.5
[M]+ 353.96460142 184.3
[M]- 353.96569858 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.