CID 12012161

403793-82-8

Structural Information

Molecular Formula

C₁₂H₁₁BrO₂

SMILES

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

InChI

InChI=1S/C12H11BrO2/c13-8-2-3-9-10(14)7-12(4-1-5-12)15-11(9)6-8/h2-3,6H,1,4-5,7H2

InChIKey

NFFYAQKQNVMCOH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	267.00151	138.0
[M+Na]+	288.98345	148.5
[M-H]-	264.98695	147.6
[M+NH4]+	284.02805	154.4
[M+K]+	304.95739	142.2
[M+H-H2O]+	248.99149	134.6
[M+HCOO]-	310.99243	154.7
[M+CH3COO]-	325.00808	195.0
[M+Na-2H]-	286.96890	148.0
[M]+	265.99368	163.1
[M]-	265.99478	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe