CID 79244

N-(bromomethyl)phthalimide

Structural Information

Molecular Formula

C₉H₆BrNO₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CBr

InChI

InChI=1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2

InChIKey

UUSLLECLCKTJQF-UHFFFAOYSA-N

Compound name

2-(bromomethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 1069
Patents: 238.95819 Da
Monoisotopic Mass: 2.3
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]+	239.965466	141.6
[M+Na]+	261.947408	155.6
[M-H]-	237.950914	148.2
[M+NH4]+	256.992013	164.8
[M+K]+	277.921348	144.6
[M+H-H2O]+	221.955450	142.1
[M+HCOO]-	283.956391	162.5
[M+CH3COO]-	297.972041	187.6
[M+Na-2H]-	259.932856	148.3
[M]+	238.95764142	161.3
[M]-	238.95873858	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe