CID 27211

15362-40-0

Structural Information

Molecular Formula

C₁₄H₉Cl₂NO

SMILES

C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2

InChIKey

JCICIFOYVSPMHG-UHFFFAOYSA-N

Compound name

1-(2,6-dichlorophenyl)-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 22
References: 166
Patents: 277.00613 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.013406	159.6
[M+Na]+	299.995348	171.6
[M-H]-	275.998854	165.6
[M+NH4]+	295.039953	178.8
[M+K]+	315.969288	164.2
[M+H-H2O]+	260.003390	153.2
[M+HCOO]-	322.004331	172.2
[M+CH3COO]-	336.019981	172.3
[M+Na-2H]-	297.980796	162.5
[M]+	277.00558142	162.8
[M]-	277.00667858	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe