CID 983648

5,6-dichloro-2-(3-phenoxyphenyl)isoindole-1,3-dione

Structural Information

Molecular Formula
C20H11Cl2NO3
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)N3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl
InChI
InChI=1S/C20H11Cl2NO3/c21-17-10-15-16(11-18(17)22)20(25)23(19(15)24)12-5-4-8-14(9-12)26-13-6-2-1-3-7-13/h1-11H
InChIKey
DPAQZBPYRAGUKS-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-(3-phenoxyphenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.0116 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.01888 187.1
[M+Na]+ 406.00082 199.4
[M-H]- 382.00432 196.6
[M+NH4]+ 401.04542 201.7
[M+K]+ 421.97476 191.5
[M+H-H2O]+ 366.00886 178.8
[M+HCOO]- 428.00980 199.5
[M+CH3COO]- 442.02545 198.5
[M+Na-2H]- 403.98627 187.6
[M]+ 383.01105 193.0
[M]- 383.01215 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.