CID 6446010

Benzenemethanol, 4-bromo-alpha-(2-(3-pyridinyl)ethenyl)-

Structural Information

Molecular Formula
C14H12BrNO
SMILES
C1=CC(=CN=C1)/C=C/C(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C14H12BrNO/c15-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-16-10-11/h1-10,14,17H/b8-3+
InChIKey
RRLRTJMPJSMFHQ-FPYGCLRLSA-N
Compound name
(E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.01022 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.017496 157.4
[M+Na]+ 311.999438 167.4
[M-H]- 288.002944 163.7
[M+NH4]+ 307.044043 174.5
[M+K]+ 327.973378 154.6
[M+H-H2O]+ 272.007480 156.2
[M+HCOO]- 334.008421 176.0
[M+CH3COO]- 348.024071 194.3
[M+Na-2H]- 309.984886 164.0
[M]+ 289.00967142 174.3
[M]- 289.01076858 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.