CID 525699

15485-23-1

Structural Information

Molecular Formula

C₁₄H₁₂BrNO

SMILES

COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H12BrNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-10H,1H3

InChIKey

PFCQHODEXOZPOX-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-1-(4-methoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 289.01022 Da
Monoisotopic Mass: 3.9
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]+	290.017496	155.9
[M+Na]+	311.999438	167.0
[M-H]-	288.002944	166.4
[M+NH4]+	307.044043	175.6
[M+K]+	327.973378	155.5
[M+H-H2O]+	272.007480	154.3
[M+HCOO]-	334.008421	180.4
[M+CH3COO]-	348.024071	201.4
[M+Na-2H]-	309.984886	164.1
[M]+	289.00967142	176.0
[M]-	289.01076858	176.0

Literature stripe

literature stripe

Patent stripe

patents stripe