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

1229
References

43157
Patents

197.04768 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05496 138.6
[M+Na]+ 220.03690 148.3
[M-H]- 196.04040 141.0
[M+NH4]+ 215.08150 158.4
[M+K]+ 236.01084 143.5
[M+H-H2O]+ 180.04494 131.9
[M+HCOO]- 242.04588 157.0
[M+CH3COO]- 256.06153 151.5
[M+Na-2H]- 218.02235 147.5
[M]+ 197.04713 137.4
[M]- 197.04823 137.4
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