CID 690221

294861-48-6

Structural Information

Molecular Formula
C15H7Cl2NO4
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C15H7Cl2NO4/c16-8-2-4-11(17)12(6-8)18-13(19)9-3-1-7(15(21)22)5-10(9)14(18)20/h1-6H,(H,21,22)
InChIKey
RPULTEWMPQHULS-UHFFFAOYSA-N
Compound name
2-(2,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.97522 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.98250 168.7
[M+Na]+ 357.96444 181.3
[M-H]- 333.96794 174.5
[M+NH4]+ 353.00904 185.1
[M+K]+ 373.93838 174.5
[M+H-H2O]+ 317.97248 163.4
[M+HCOO]- 379.97342 179.6
[M+CH3COO]- 393.98907 205.2
[M+Na-2H]- 355.94989 168.9
[M]+ 334.97467 173.8
[M]- 334.97577 173.8
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.