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 150.4
[M+Na]+ 286.96780 163.9
[M-H]- 262.97130 161.2
[M+NH4]+ 282.01240 171.7
[M+K]+ 302.94174 153.8
[M+H-H2O]+ 246.97584 150.8
[M+HCOO]- 308.97678 173.4
[M+CH3COO]- 322.99243 192.4
[M+Na-2H]- 284.95325 156.7
[M]+ 263.97803 172.0
[M]- 263.97913 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.