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

484
Patents

197.04768 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05496 138.6
[M+Na]+ 220.03690 149.4
[M-H]- 196.04040 142.2
[M+NH4]+ 215.08150 160.2
[M+K]+ 236.01084 144.3
[M+H-H2O]+ 180.04494 132.8
[M+HCOO]- 242.04588 159.3
[M+CH3COO]- 256.06153 152.4
[M+Na-2H]- 218.02235 145.3
[M]+ 197.04713 137.8
[M]- 197.04823 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe