CID 366622

Nsc635297

Structural Information

Molecular Formula
C17H13Cl2NO4
SMILES
CC(C(=O)C1=CC=C(C=C1)O)C2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O
InChI
InChI=1S/C17H13Cl2NO4/c1-8(15(22)9-2-4-11(21)5-3-9)17(24)12-6-10(18)7-13(19)14(12)20-16(17)23/h2-8,21,24H,1H3,(H,20,23)
InChIKey
ARAHZOQFRZLIQU-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-hydroxy-3-[1-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.02216 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02944 176.2
[M+Na]+ 388.01138 186.7
[M-H]- 364.01488 179.2
[M+NH4]+ 383.05598 191.8
[M+K]+ 403.98532 179.2
[M+H-H2O]+ 348.01942 172.0
[M+HCOO]- 410.02036 182.7
[M+CH3COO]- 424.03601 206.5
[M+Na-2H]- 385.99683 175.8
[M]+ 365.02161 178.7
[M]- 365.02271 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

literature stripe

Patent stripe

No patent data available for this compound.