CID 740987

293766-12-8

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O2/c16-12-6-5-9(7-13(12)17)18-8-19-14(20)10-3-1-2-4-11(10)15(19)21/h1-7,18H,8H2
InChIKey
GHFYXLZKGGGKBS-UHFFFAOYSA-N
Compound name
2-[(3,4-dichloroanilino)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

320.01193 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01921 170.5
[M+Na]+ 343.00115 182.2
[M-H]- 319.00465 176.8
[M+NH4]+ 338.04575 187.8
[M+K]+ 358.97509 174.7
[M+H-H2O]+ 303.00919 164.0
[M+HCOO]- 365.01013 184.2
[M+CH3COO]- 379.02578 182.5
[M+Na-2H]- 340.98660 172.8
[M]+ 320.01138 174.7
[M]- 320.01248 174.7
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.