CID 366639

Nsc635314

Structural Information

Molecular Formula
C17H11Cl2NO3
SMILES
C1C(C(=O)C2=CC=CC=C21)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O
InChI
InChI=1S/C17H11Cl2NO3/c18-9-6-11-14(13(19)7-9)20-16(22)17(11,23)12-5-8-3-1-2-4-10(8)15(12)21/h1-4,6-7,12,23H,5H2,(H,20,22)
InChIKey
HTHBQTFZAGJJCD-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-hydroxy-3-(3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0116 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.01888 177.7
[M+Na]+ 370.00082 190.6
[M-H]- 346.00432 183.1
[M+NH4]+ 365.04542 197.8
[M+K]+ 385.97476 181.7
[M+H-H2O]+ 330.00886 173.2
[M+HCOO]- 392.00980 186.3
[M+CH3COO]- 406.02545 189.1
[M+Na-2H]- 367.98627 177.5
[M]+ 347.01105 180.1
[M]- 347.01215 180.1
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.