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: 221
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]+	269.976026	148.7
[M+Na]+	291.957968	162.0
[M-H]-	267.961474	155.0
[M+NH4]+	287.002573	170.6
[M+K]+	307.931908	151.3
[M+H-H2O]+	251.966010	148.8
[M+HCOO]-	313.966951	169.4
[M+CH3COO]-	327.982601	192.4
[M+Na-2H]-	289.943416	155.0
[M]+	268.96820142	170.0
[M]-	268.96929858	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe