CID 790105

4-bromo-n-methylphthalimide

Structural Information

Molecular Formula

C₉H₆BrNO₂

SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)Br

InChI

InChI=1S/C9H6BrNO2/c1-11-8(12)6-3-2-5(10)4-7(6)9(11)13/h2-4H,1H3

InChIKey

BEIQHTQYTDPHLX-UHFFFAOYSA-N

Compound name

5-bromo-2-methylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 238.95819 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.96547	144.7
[M+Na]+	261.94741	148.3
[M+NH4]+	256.99201	149.4
[M+K]+	277.92135	149.7
[M-H]-	237.95091	144.4
[M+Na-2H]-	259.93286	146.2
[M]+	238.95764	143.8
[M]-	238.95874	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe