CID 11130722

2-bromo-n-(2,6-dioxopiperidin-3-yl)benzamide

Structural Information

Molecular Formula
C12H11BrN2O3
SMILES
C1CC(=O)NC(=O)C1NC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C12H11BrN2O3/c13-8-4-2-1-3-7(8)11(17)14-9-5-6-10(16)15-12(9)18/h1-4,9H,5-6H2,(H,14,17)(H,15,16,18)
InChIKey
WJOTXXQZTRKIBF-UHFFFAOYSA-N
Compound name
2-bromo-N-(2,6-dioxopiperidin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

309.9953 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.00258 158.8
[M+Na]+ 332.98452 167.6
[M-H]- 308.98802 164.9
[M+NH4]+ 328.02912 174.6
[M+K]+ 348.95846 155.5
[M+H-H2O]+ 292.99256 157.0
[M+HCOO]- 354.99350 175.5
[M+CH3COO]- 369.00915 199.1
[M+Na-2H]- 330.96997 162.7
[M]+ 309.99475 172.3
[M]- 309.99585 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe