CID 21986124

97901-15-0

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

C1C(CC2=C1C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C10H9BrO2/c11-9-2-1-6-3-8(10(12)13)4-7(6)5-9/h1-2,5,8H,3-4H2,(H,12,13)

InChIKey

OMJPTHPPEYUYLP-UHFFFAOYSA-N

Compound name

5-bromo-2,3-dihydro-1H-indene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 239.97859 Da
Monoisotopic Mass: 2.4
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]+	240.98587	147.2
[M+Na]+	262.96781	158.9
[M-H]-	238.97131	153.3
[M+NH4]+	258.01241	170.6
[M+K]+	278.94175	147.8
[M+H-H2O]+	222.97585	148.3
[M+HCOO]-	284.97679	166.3
[M+CH3COO]-	298.99244	186.1
[M+Na-2H]-	260.95326	152.2
[M]+	239.97804	164.6
[M]-	239.97914	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe