CID 199875

N-(2-bromoethoxy)phthalimide

Structural Information

Molecular Formula

C₁₀H₈BrNO₃

SMILES

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

InChI

InChI=1S/C10H8BrNO3/c11-5-6-15-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2

InChIKey

OCWDBKQNNKCYCJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 223
Patents: 268.96875 Da
Monoisotopic Mass: 2.1
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]+	269.97603	153.2
[M+Na]+	291.95797	155.8
[M+NH4]+	287.00257	157.2
[M+K]+	307.93191	157.2
[M-H]-	267.96147	152.3
[M+Na-2H]-	289.94342	154.0
[M]+	268.96820	151.9
[M]-	268.96930	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe