CID 89259

19997-52-5

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

COC1=CC2=C(C=C1)OC(C2)CBr

InChI

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

InChIKey

OJTFMQIEFYRCRZ-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-5-methoxy-2,3-dihydro-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 241.99425 Da
Monoisotopic Mass: 2.7
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	147.3
[M+Na]+	264.983468	159.6
[M-H]-	240.986974	155.3
[M+NH4]+	260.028073	170.4
[M+K]+	280.957408	150.5
[M+H-H2O]+	224.991510	148.3
[M+HCOO]-	286.992451	167.9
[M+CH3COO]-	301.008101	188.5
[M+Na-2H]-	262.968916	154.8
[M]+	241.99370142	168.3
[M]-	241.99479858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe