CID 876144

359810-48-3

Structural Information

Molecular Formula
C12H9BrO2
SMILES
CC1=CC(=C(C=C1)C2=CC=C(O2)C=O)Br
InChI
InChI=1S/C12H9BrO2/c1-8-2-4-10(11(13)6-8)12-5-3-9(7-14)15-12/h2-7H,1H3
InChIKey
JRJUEVPOZMWWNK-UHFFFAOYSA-N
Compound name
5-(2-bromo-4-methylphenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

263.97858 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98586 151.0
[M+Na]+ 286.96780 156.0
[M+NH4]+ 282.01240 156.2
[M+K]+ 302.94174 156.6
[M-H]- 262.97130 154.3
[M+Na-2H]- 284.95325 155.3
[M]+ 263.97803 151.6
[M]- 263.97913 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.