CID 76781

3286-93-9

Structural Information

Molecular Formula

C₁₄H₁₁BrO₃

SMILES

COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C14H11BrO3/c1-18-13-8-12(16)10(7-11(13)15)14(17)9-5-3-2-4-6-9/h2-8,16H,1H3

InChIKey

QUHNPDOXVFJYCS-UHFFFAOYSA-N

Compound name

(5-bromo-2-hydroxy-4-methoxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 305.98917 Da
Monoisotopic Mass: 4.1
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]+	306.996446	158.9
[M+Na]+	328.978388	170.2
[M-H]-	304.981894	167.3
[M+NH4]+	324.022993	176.9
[M+K]+	344.952328	158.8
[M+H-H2O]+	288.986430	158.1
[M+HCOO]-	350.987371	179.0
[M+CH3COO]-	365.003021	198.5
[M+Na-2H]-	326.963836	164.0
[M]+	305.98862142	178.7
[M]-	305.98971858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe