CID 16794671

5,7-difluoroindoline-2,3-dione

Structural Information

Molecular Formula

C₈H₃F₂NO₂

SMILES

C1=C(C=C(C2=C1C(=O)C(=O)N2)F)F

InChI

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

InChIKey

LGOCJGRNNIZUBL-UHFFFAOYSA-N

Compound name

5,7-difluoro-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
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

literature stripe

Patent stripe

patents stripe