CID 4281892

20465-51-4

Structural Information

Molecular Formula

C₁₄H₉Cl₂NO

SMILES

C1=CC=C(C=C1)C2C3=CC(=C(C=C3NC2=O)Cl)Cl

InChI

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

InChIKey

FLFQHALOGPZWPF-UHFFFAOYSA-N

Compound name

5,6-dichloro-3-phenyl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 277.00613 Da
Monoisotopic Mass: 3.7
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]+	278.01341	159.5
[M+Na]+	299.99535	171.2
[M-H]-	275.99885	164.2
[M+NH4]+	295.03995	178.1
[M+K]+	315.96929	162.9
[M+H-H2O]+	260.00339	153.6
[M+HCOO]-	322.00433	170.7
[M+CH3COO]-	336.01998	171.7
[M+Na-2H]-	297.98080	162.1
[M]+	277.00558	161.0
[M]-	277.00668	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe