CID 366699

Nsc635416

Structural Information

Molecular Formula
C17H13Cl2NO3
SMILES
CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)Cl)O)Cl
InChI
InChI=1S/C17H13Cl2NO3/c1-9-13(19)7-6-12-15(9)20-16(22)17(12,23)8-14(21)10-2-4-11(18)5-3-10/h2-7,23H,8H2,1H3,(H,20,22)
InChIKey
VASQUNWADQAPIT-UHFFFAOYSA-N
Compound name
6-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.02725 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.03453 175.0
[M+Na]+ 372.01647 186.4
[M-H]- 348.01997 179.0
[M+NH4]+ 367.06107 192.1
[M+K]+ 387.99041 178.3
[M+H-H2O]+ 332.02451 170.0
[M+HCOO]- 394.02545 183.6
[M+CH3COO]- 408.04110 185.9
[M+Na-2H]- 370.00192 175.6
[M]+ 349.02670 178.2
[M]- 349.02780 178.2
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.