CID 11970574

70263-43-3

Structural Information

Molecular Formula

C₁₄H₁₂BrNO

SMILES

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

InChI

InChI=1S/C14H12BrNO/c1-2-14(17,12-4-3-9-16-10-12)11-5-7-13(15)8-6-11/h2-10,17H,1H2

InChIKey

MPZIBGBODUJREE-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-1-pyridin-3-ylprop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 289.01022 Da
Monoisotopic Mass: 2.6
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]+	290.017496	158.0
[M+Na]+	311.999438	168.6
[M-H]-	288.002944	164.6
[M+NH4]+	307.044043	175.2
[M+K]+	327.973378	155.8
[M+H-H2O]+	272.007480	157.3
[M+HCOO]-	334.008421	176.1
[M+CH3COO]-	348.024071	194.4
[M+Na-2H]-	309.984886	166.4
[M]+	289.00967142	175.2
[M]-	289.01076858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe