CID 167718869

8-bromo-3,4-dihydrospiro[1-benzopyran-2,1'-cyclobutan]-4-one

Structural Information

Molecular Formula

C₁₂H₁₁BrO₂

SMILES

C1CC2(C1)CC(=O)C3=C(O2)C(=CC=C3)Br

InChI

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

InChIKey

ZEAKJWLXSCNXKY-UHFFFAOYSA-N

Compound name

8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.99423 Da
Monoisotopic Mass: 2.8
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	138.0
[M+Na]+	288.983448	148.5
[M-H]-	264.986954	147.6
[M+NH4]+	284.028053	154.4
[M+K]+	304.957388	142.2
[M+H-H2O]+	248.991490	134.6
[M+HCOO]-	310.992431	154.7
[M+CH3COO]-	325.008081	195.0
[M+Na-2H]-	286.968896	148.0
[M]+	265.99368142	163.1
[M]-	265.99477858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.