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]+ 264.985856 150.4
[M+Na]+ 286.967798 163.9
[M-H]- 262.971304 161.2
[M+NH4]+ 282.012403 171.7
[M+K]+ 302.941738 153.8
[M+H-H2O]+ 246.975840 150.8
[M+HCOO]- 308.976781 173.4
[M+CH3COO]- 322.992431 192.4
[M+Na-2H]- 284.953246 156.7
[M]+ 263.97803142 172.0
[M]- 263.97912858 172.0
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.