CID 60419

Brn 5593728

Structural Information

Molecular Formula
C16H9Cl2NO3
SMILES
C1=CC(=C(C(=C1)Cl)N2C3=C(C=CC(=C3)C=O)C(=C2O)C=O)Cl
InChI
InChI=1S/C16H9Cl2NO3/c17-12-2-1-3-13(18)15(12)19-14-6-9(7-20)4-5-10(14)11(8-21)16(19)22/h1-8,22H
InChIKey
VAPGXGRQEWDOLC-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-2-hydroxyindole-3,6-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.99594 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00322 170.6
[M+Na]+ 355.98516 185.1
[M-H]- 331.98866 176.7
[M+NH4]+ 351.02976 187.5
[M+K]+ 371.95910 177.0
[M+H-H2O]+ 315.99320 164.7
[M+HCOO]- 377.99414 184.6
[M+CH3COO]- 392.00979 183.5
[M+Na-2H]- 353.97061 172.9
[M]+ 332.99539 178.7
[M]- 332.99649 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.