CID 10873804

148935-94-8

Structural Information

Molecular Formula
C22H10Cl2N2O4
SMILES
C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl)N4C(=O)C5=C(C4=O)C=C(C=C5)Cl
InChI
InChI=1S/C22H10Cl2N2O4/c23-11-4-6-15-17(8-11)21(29)25(19(15)27)13-2-1-3-14(10-13)26-20(28)16-7-5-12(24)9-18(16)22(26)30/h1-10H
InChIKey
RYEBARWNIIBYNQ-UHFFFAOYSA-N
Compound name
5-chloro-2-[3-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

436.00177 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.00905 202.8
[M+Na]+ 458.99099 216.7
[M-H]- 434.99449 212.8
[M+NH4]+ 454.03559 216.8
[M+K]+ 474.96493 208.3
[M+H-H2O]+ 418.99903 194.6
[M+HCOO]- 480.99997 212.4
[M+CH3COO]- 495.01562 213.4
[M+Na-2H]- 456.97644 198.8
[M]+ 436.00122 209.2
[M]- 436.00232 209.2
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