CID 366714

Nsc635430

Structural Information

Molecular Formula
C17H12Cl3NO3
SMILES
CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=C(C=C(C=C3)Cl)Cl)O)Cl
InChI
InChI=1S/C17H12Cl3NO3/c1-8-12(19)5-4-11-15(8)21-16(23)17(11,24)7-14(22)10-3-2-9(18)6-13(10)20/h2-6,24H,7H2,1H3,(H,21,23)
InChIKey
OHYRTGIXLQIRTN-UHFFFAOYSA-N
Compound name
6-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.98828 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.99556 179.3
[M+Na]+ 405.97750 191.4
[M-H]- 381.98100 182.5
[M+NH4]+ 401.02210 195.3
[M+K]+ 421.95144 183.0
[M+H-H2O]+ 365.98554 175.2
[M+HCOO]- 427.98648 182.6
[M+CH3COO]- 442.00213 189.4
[M+Na-2H]- 403.96295 178.4
[M]+ 382.98773 183.1
[M]- 382.98883 183.1
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.