CID 81379

3-bromo-4,5-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC1=C(C(=CC(=C1)C=O)Br)OC
InChI
InChI=1S/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
InChIKey
ICVODPFGWCUVJC-UHFFFAOYSA-N
Compound name
3-bromo-4,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

494
Patents

243.97351 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 141.9
[M+Na]+ 266.96273 146.0
[M+NH4]+ 262.00733 146.4
[M+K]+ 282.93667 146.1
[M-H]- 242.96623 142.2
[M+Na-2H]- 264.94818 145.2
[M]+ 243.97296 141.4
[M]- 243.97406 141.4
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

patents stripe