CID 983643

5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione

Structural Information

Molecular Formula
C14H6Cl2INO2
SMILES
C1=CC(=CC=C1N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)I
InChI
InChI=1S/C14H6Cl2INO2/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)8-3-1-7(17)2-4-8/h1-6H
InChIKey
MGGSFMUSMMPDFC-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-(4-iodophenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.88202 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.88930 163.0
[M+Na]+ 439.87124 169.4
[M-H]- 415.87474 162.5
[M+NH4]+ 434.91584 176.5
[M+K]+ 455.84518 168.1
[M+H-H2O]+ 399.87928 153.7
[M+HCOO]- 461.88022 171.6
[M+CH3COO]- 475.89587 172.0
[M+Na-2H]- 437.85669 154.0
[M]+ 416.88147 165.1
[M]- 416.88257 165.1
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.