CID 81696329

1499315-74-0

Structural Information

Molecular Formula

C₁₂H₁₁BrO₂

SMILES

C1CC2(CC2C(=O)O)C3=C1C=C(C=C3)Br

InChI

InChI=1S/C12H11BrO2/c13-8-1-2-9-7(5-8)3-4-12(9)6-10(12)11(14)15/h1-2,5,10H,3-4,6H2,(H,14,15)

InChIKey

YAAQTJRXJDFALA-UHFFFAOYSA-N

Compound name

6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.99423 Da
Monoisotopic Mass: 2.9
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]+	267.001506	154.1
[M+Na]+	288.983448	168.2
[M-H]-	264.986954	163.1
[M+NH4]+	284.028053	174.1
[M+K]+	304.957388	156.3
[M+H-H2O]+	248.991490	155.7
[M+HCOO]-	310.992431	172.3
[M+CH3COO]-	325.008081	168.7
[M+Na-2H]-	286.968896	159.9
[M]+	265.99368142	173.7
[M]-	265.99477858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe