CID 9570449

P-anisaldehyde, 3-hydroxy-, (p-bromophenyl)hydrazone

Structural Information

Molecular Formula

C₁₄H₁₃BrN₂O₂

SMILES

COC1=C(C=C(C=C1)/C=N/NC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H13BrN2O2/c1-19-14-7-2-10(8-13(14)18)9-16-17-12-5-3-11(15)4-6-12/h2-9,17-18H,1H3/b16-9+

InChIKey

HNTZYKLJVVEGBC-CXUHLZMHSA-N

Compound name

5-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 320.01605 Da
Monoisotopic Mass: 3.8
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]+	321.023326	162.4
[M+Na]+	343.005268	172.5
[M-H]-	319.008774	171.5
[M+NH4]+	338.049873	179.8
[M+K]+	358.979208	160.4
[M+H-H2O]+	303.013310	159.8
[M+HCOO]-	365.014251	186.3
[M+CH3COO]-	379.029901	206.8
[M+Na-2H]-	340.990716	169.6
[M]+	320.01550142	181.5
[M]-	320.01659858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe