CID 360294

Nsc622329

Structural Information

Molecular Formula
C16H11Cl2NO3
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C16H11Cl2NO3/c17-11-6-5-9(7-12(11)18)14(20)8-16(22)10-3-1-2-4-13(10)19-15(16)21/h1-7,22H,8H2,(H,19,21)
InChIKey
LJFGOYPERGLSMQ-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0116 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.01888 170.9
[M+Na]+ 358.00082 182.0
[M-H]- 334.00432 174.8
[M+NH4]+ 353.04542 188.3
[M+K]+ 373.97476 174.0
[M+H-H2O]+ 318.00886 165.8
[M+HCOO]- 380.00980 179.9
[M+CH3COO]- 394.02545 181.9
[M+Na-2H]- 355.98627 172.7
[M]+ 335.01105 173.4
[M]- 335.01215 173.4
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.