CID 428982

17696-48-9

Structural Information

Molecular Formula

C₁₄H₁₂BrNO₂

SMILES

COC1=CC=CC(=C1O)C=NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H12BrNO2/c1-18-13-4-2-3-10(14(13)17)9-16-12-7-5-11(15)6-8-12/h2-9,17H,1H3

InChIKey

IKETWNOKIWCWJQ-UHFFFAOYSA-N

Compound name

2-[(4-bromophenyl)iminomethyl]-6-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.00513 Da
Monoisotopic Mass: 3.3
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]+	306.012406	159.1
[M+Na]+	327.994348	170.4
[M-H]-	303.997854	168.6
[M+NH4]+	323.038953	177.7
[M+K]+	343.968288	158.5
[M+H-H2O]+	288.002390	157.5
[M+HCOO]-	350.003331	182.3
[M+CH3COO]-	364.018981	202.1
[M+Na-2H]-	325.979796	166.1
[M]+	305.00458142	179.1
[M]-	305.00567858	179.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.