CID 366719

Nsc635436

Structural Information

Molecular Formula
C16H9Cl4NO3
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O
InChI
InChI=1S/C16H9Cl4NO3/c17-7-1-2-8(11(20)5-7)12(22)6-16(24)13-9(18)3-4-10(19)14(13)21-15(16)23/h1-5,24H,6H2,(H,21,23)
InChIKey
CQWCZKKNYNJFOQ-UHFFFAOYSA-N
Compound name
4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.93365 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.94093 180.0
[M+Na]+ 425.92287 191.7
[M-H]- 401.92637 181.5
[M+NH4]+ 420.96747 194.7
[M+K]+ 441.89681 183.7
[M+H-H2O]+ 385.93091 176.4
[M+HCOO]- 447.93185 178.2
[M+CH3COO]- 461.94750 188.9
[M+Na-2H]- 423.90832 178.4
[M]+ 402.93310 182.7
[M]- 402.93420 182.7
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.