CID 16795878

749240-52-6

Structural Information

Molecular Formula

C₈H₃F₂NO₂

SMILES

C1=CC(=C2C(=C1F)C(=O)C(=O)N2)F

InChI

InChI=1S/C8H3F2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)

InChIKey

ZHGOEPJMKPVIRT-UHFFFAOYSA-N

Compound name

4,7-difluoro-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 183.01318 Da
Monoisotopic Mass: 0.9
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]+	184.02046	136.8
[M+Na]+	206.00240	147.4
[M+NH4]+	201.04700	143.3
[M+K]+	221.97634	143.8
[M-H]-	182.00590	134.3
[M+Na-2H]-	203.98785	139.4
[M]+	183.01263	137.2
[M]-	183.01373	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe