CID 24213899

952182-73-9

Structural Information

Molecular Formula
C11H7BrN2O2
SMILES
C1=CC(=CC=C1C=O)OC2=NC=C(C=N2)Br
InChI
InChI=1S/C11H7BrN2O2/c12-9-5-13-11(14-6-9)16-10-3-1-8(7-15)2-4-10/h1-7H
InChIKey
WXGYDPASLRDTIR-UHFFFAOYSA-N
Compound name
4-(5-bromopyrimidin-2-yl)oxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9691 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.97638 147.8
[M+Na]+ 300.95832 160.4
[M-H]- 276.96182 154.8
[M+NH4]+ 296.00292 164.9
[M+K]+ 316.93226 149.1
[M+H-H2O]+ 260.96636 146.0
[M+HCOO]- 322.96730 168.7
[M+CH3COO]- 336.98295 193.6
[M+Na-2H]- 298.94377 157.2
[M]+ 277.96855 168.3
[M]- 277.96965 168.3
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.