CID 311906

85928-57-0

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

COC1=CC2=C(CCC(C2=O)Br)C=C1

InChI

InChI=1S/C11H11BrO2/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8/h2,4,6,10H,3,5H2,1H3

InChIKey

WHEBCCJXJLNMGZ-UHFFFAOYSA-N

Compound name

2-bromo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 253.99425 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]+	255.00153	144.5
[M+Na]+	276.98347	148.7
[M+NH4]+	272.02807	150.2
[M+K]+	292.95741	147.8
[M-H]-	252.98697	145.8
[M+Na-2H]-	274.96892	147.6
[M]+	253.99370	144.3
[M]-	253.99480	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe