CID 522559

N-(2-chloroethyl)-1,8-naphthalimide

Structural Information

Molecular Formula
C14H10ClNO2
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCl
InChI
InChI=1S/C14H10ClNO2/c15-7-8-16-13(17)10-5-1-3-9-4-2-6-11(12(9)10)14(16)18/h1-6H,7-8H2
InChIKey
AWVXDWQRGJLTBI-UHFFFAOYSA-N
Compound name
2-(2-chloroethyl)benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.04 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04728 152.8
[M+Na]+ 282.02922 169.2
[M+NH4]+ 277.07382 162.5
[M+K]+ 298.00316 160.1
[M-H]- 258.03272 155.5
[M+Na-2H]- 280.01467 158.7
[M]+ 259.03945 156.3
[M]- 259.04055 156.3
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

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