CID 66491

1,8-naphthalimide

Structural Information

Molecular Formula

C₁₂H₇NO₂

SMILES

C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2

InChI

InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)

InChIKey

XJHABGPPCLHLLV-UHFFFAOYSA-N

Compound name

benzo[de]isoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1211
References: 39660
Patents: 197.04768 Da
Monoisotopic Mass: 1.7
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]+	198.05496	139.0
[M+Na]+	220.03690	154.1
[M+NH4]+	215.08150	148.5
[M+K]+	236.01084	146.5
[M-H]-	196.04040	141.3
[M+Na-2H]-	218.02235	145.0
[M]+	197.04713	141.8
[M]-	197.04823	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe