CID 57634199

944805-66-7

Structural Information

Molecular Formula

SMILES

C1C2=CC(=C(C=C2NC1=O)F)Br

InChI

InChI=1S/C8H5BrFNO/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1,3H,2H2,(H,11,12)

InChIKey

UVQWHJXRXKNXGK-UHFFFAOYSA-N

Compound name

5-bromo-6-fluoro-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 228.95386 Da
Monoisotopic Mass: 1.6
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]+	229.96114	145.8
[M+Na]+	251.94308	148.3
[M+NH4]+	246.98768	150.2
[M+K]+	267.91702	149.3
[M-H]-	227.94658	144.2
[M+Na-2H]-	249.92853	146.6
[M]+	228.95331	144.3
[M]-	228.95441	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe