CID 3085958

73384-98-2

Structural Information

Molecular Formula

C₈H₃Cl₄NO

SMILES

C1C(=O)C2=C(N1)C(=C(C(=C2Cl)Cl)Cl)Cl

InChI

InChI=1S/C8H3Cl4NO/c9-4-3-2(14)1-13-8(3)7(12)6(11)5(4)10/h13H,1H2

InChIKey

UVKYAVIASVBOME-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrachloro-1,2-dihydroindol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 268.89688 Da
Monoisotopic Mass: 4.0
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]+	269.90416	152.5
[M+Na]+	291.88610	164.9
[M-H]-	267.88960	151.7
[M+NH4]+	286.93070	171.0
[M+K]+	307.86004	157.8
[M+H-H2O]+	251.89414	149.6
[M+HCOO]-	313.89508	152.9
[M+CH3COO]-	327.91073	163.3
[M+Na-2H]-	289.87155	152.7
[M]+	268.89633	152.9
[M]-	268.89743	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe