CID 60145025

1273666-60-6

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

COC1=C(C=C2C(=C1)CCCC2=O)Br

InChI

InChI=1S/C11H11BrO2/c1-14-11-5-7-3-2-4-10(13)8(7)6-9(11)12/h5-6H,2-4H2,1H3

InChIKey

KYUUBEHTLWUGRP-UHFFFAOYSA-N

Compound name

7-bromo-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 253.99425 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]+	255.001526	146.5
[M+Na]+	276.983468	158.2
[M-H]-	252.986974	153.7
[M+NH4]+	272.028073	168.5
[M+K]+	292.957408	147.5
[M+H-H2O]+	236.991510	146.9
[M+HCOO]-	298.992451	165.5
[M+CH3COO]-	313.008101	192.0
[M+Na-2H]-	274.968916	153.6
[M]+	253.99370142	164.9
[M]-	253.99479858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe