CID 335194

2,3-naphthalenedicarboximide

Structural Information

Molecular Formula

C₁₂H₇NO₂

SMILES

C1=CC=C2C=C3C(=CC2=C1)C(=O)NC3=O

InChI

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

InChIKey

ODBPKBWAGSAZBE-UHFFFAOYSA-N

Compound name

benzo[f]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 406
Patents: 197.04768 Da
Monoisotopic Mass: 2.4
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	140.0
[M+Na]+	220.03690	153.9
[M+NH4]+	215.08150	149.2
[M+K]+	236.01084	148.6
[M-H]-	196.04040	141.9
[M+Na-2H]-	218.02235	145.3
[M]+	197.04713	142.4
[M]-	197.04823	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe