CID 122233581

(4r)-7-bromo-4-methoxy-3,4-dihydro-1h-2-benzopyran

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

CO[C@H]1COCC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H11BrO2/c1-12-10-6-13-5-7-4-8(11)2-3-9(7)10/h2-4,10H,5-6H2,1H3/t10-/m0/s1

InChIKey

LIJZSYORKBDVGD-JTQLQIEISA-N

Compound name

(4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.99425 Da
Monoisotopic Mass: 1.7
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]+	243.001526	144.6
[M+Na]+	264.983468	155.6
[M-H]-	240.986974	152.2
[M+NH4]+	260.028073	165.7
[M+K]+	280.957408	146.7
[M+H-H2O]+	224.991510	144.9
[M+HCOO]-	286.992451	162.9
[M+CH3COO]-	301.008101	188.8
[M+Na-2H]-	262.968916	153.6
[M]+	241.99370142	163.6
[M]-	241.99479858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.