CID 21221834

181477-10-1

Structural Information

Molecular Formula

C₁₁H₉BrO₃

SMILES

C1C(C(=O)C2=C1C=CC(=C2)Br)CC(=O)O

InChI

InChI=1S/C11H9BrO3/c12-8-2-1-6-3-7(4-10(13)14)11(15)9(6)5-8/h1-2,5,7H,3-4H2,(H,13,14)

InChIKey

FVODCNPPJOKTQC-UHFFFAOYSA-N

Compound name

2-(5-bromo-3-oxo-1,2-dihydroinden-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 267.9735 Da
Monoisotopic Mass: 1.9
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]+	268.98078	152.0
[M+Na]+	290.96272	153.9
[M+NH4]+	286.00732	156.2
[M+K]+	306.93666	155.9
[M-H]-	266.96622	151.2
[M+Na-2H]-	288.94817	152.4
[M]+	267.97295	150.6
[M]-	267.97405	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe