CID 118990608

874830-74-7

Structural Information

Molecular Formula

C₈H₂BrF₂NO₂

SMILES

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

InChI

InChI=1S/C8H2BrF2NO2/c9-5-2(10)1-3-4(6(5)11)7(13)8(14)12-3/h1H,(H,12,13,14)

InChIKey

HLOUGGGNIWHBON-UHFFFAOYSA-N

Compound name

5-bromo-4,6-difluoro-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.9237 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]+	261.93098	144.5
[M+Na]+	283.91292	160.2
[M-H]-	259.91642	148.0
[M+NH4]+	278.95752	166.6
[M+K]+	299.88686	147.5
[M+H-H2O]+	243.92096	143.9
[M+HCOO]-	305.92190	162.2
[M+CH3COO]-	319.93755	189.8
[M+Na-2H]-	281.89837	148.7
[M]+	260.92315	160.6
[M]-	260.92425	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe