CID 854173

2-(2,4-dichlorobenzyl)isoindoline-1,3-dione

Structural Information

Molecular Formula
C15H9Cl2NO2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2NO2/c16-10-6-5-9(13(17)7-10)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2
InChIKey
UJUCVRVGCZLASM-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.00104 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00832 163.3
[M+Na]+ 327.99026 180.2
[M+NH4]+ 323.03486 172.6
[M+K]+ 343.96420 172.6
[M-H]- 303.99376 167.3
[M+Na-2H]- 325.97571 170.7
[M]+ 305.00049 167.6
[M]- 305.00159 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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