CID 292703

4-bromo-n-piperonylideneaniline

Structural Information

Molecular Formula

C₁₄H₁₀BrNO₂

SMILES

C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H10BrNO2/c15-11-2-4-12(5-3-11)16-8-10-1-6-13-14(7-10)18-9-17-13/h1-8H,9H2

InChIKey

SIWGMOUGLBGTRY-UHFFFAOYSA-N

Compound name

1-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.9895 Da
Monoisotopic Mass: 3.6
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]+	303.996776	162.9
[M+Na]+	325.978718	174.4
[M-H]-	301.982224	175.4
[M+NH4]+	321.023323	182.1
[M+K]+	341.952658	165.5
[M+H-H2O]+	285.986760	162.3
[M+HCOO]-	347.987701	185.0
[M+CH3COO]-	362.003351	178.0
[M+Na-2H]-	323.964166	171.3
[M]+	302.98895142	183.7
[M]-	302.99004858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.