CID 28492858

6-bromo-1-ethyl-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula

C₁₀H₈BrNO₂

SMILES

CCN1C2=C(C=CC(=C2)Br)C(=O)C1=O

InChI

InChI=1S/C10H8BrNO2/c1-2-12-8-5-6(11)3-4-7(8)9(13)10(12)14/h3-5H,2H2,1H3

InChIKey

ALNPZHXAZAUOIR-UHFFFAOYSA-N

Compound name

6-bromo-1-ethylindole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 252.97385 Da
Monoisotopic Mass: 2.0
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]+	253.98113	145.6
[M+Na]+	275.96307	160.1
[M-H]-	251.96657	152.4
[M+NH4]+	271.00767	168.6
[M+K]+	291.93701	148.8
[M+H-H2O]+	235.97111	146.2
[M+HCOO]-	297.97205	166.2
[M+CH3COO]-	311.98770	191.6
[M+Na-2H]-	273.94852	151.3
[M]+	252.97330	166.0
[M]-	252.97440	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe