CID 362454

Nsc626401

Structural Information

Molecular Formula
C15H6Cl3NO3
SMILES
C1=CC(=C(C=C1C(=O)N2C3=C(C=C(C=C3)Cl)C(=O)C2=O)Cl)Cl
InChI
InChI=1S/C15H6Cl3NO3/c16-8-2-4-12-9(6-8)13(20)15(22)19(12)14(21)7-1-3-10(17)11(18)5-7/h1-6H
InChIKey
WFKJZQQXVCQTGQ-UHFFFAOYSA-N
Compound name
5-chloro-1-(3,4-dichlorobenzoyl)indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.9413 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.94858 173.2
[M+Na]+ 375.93052 186.3
[M-H]- 351.93402 178.8
[M+NH4]+ 370.97512 189.6
[M+K]+ 391.90446 179.0
[M+H-H2O]+ 335.93856 167.9
[M+HCOO]- 397.93950 179.9
[M+CH3COO]- 411.95515 184.8
[M+Na-2H]- 373.91597 172.4
[M]+ 352.94075 178.7
[M]- 352.94185 178.7
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.