CID 6446010

Brn 1533112

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]+ 290.01750 157.4
[M+Na]+ 311.99944 167.4
[M-H]- 288.00294 163.7
[M+NH4]+ 307.04404 174.5
[M+K]+ 327.97338 154.6
[M+H-H2O]+ 272.00748 156.2
[M+HCOO]- 334.00842 176.0
[M+CH3COO]- 348.02407 194.3
[M+Na-2H]- 309.98489 164.0
[M]+ 289.00967 174.3
[M]- 289.01077 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.