CID 696210

30818-65-6

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2O2/c16-10-5-7-11(8-6-10)17-9-18-14(19)12-3-1-2-4-13(12)15(18)20/h1-8,17H,9H2
InChIKey
JJQGFPZQXDRFHC-UHFFFAOYSA-N
Compound name
2-[(4-chloroanilino)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.0509 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 162.9
[M+Na]+ 309.04012 173.4
[M-H]- 285.04362 169.7
[M+NH4]+ 304.08472 180.9
[M+K]+ 325.01406 166.9
[M+H-H2O]+ 269.04816 155.6
[M+HCOO]- 331.04910 181.9
[M+CH3COO]- 345.06475 175.5
[M+Na-2H]- 307.02557 166.8
[M]+ 286.05035 165.4
[M]- 286.05145 165.4
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

No patent data available for this compound.