CID 777997

4-bromo-2,5-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC1=CC(=C(C=C1C=O)OC)Br
InChI
InChI=1S/C9H9BrO3/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-5H,1-2H3
InChIKey
BIFWGDWGCZLCHF-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

103
Patents

243.97351 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 139.7
[M+Na]+ 266.962728 152.9
[M-H]- 242.966234 146.7
[M+NH4]+ 262.007333 161.4
[M+K]+ 282.936668 143.0
[M+H-H2O]+ 226.970770 139.9
[M+HCOO]- 288.971711 162.4
[M+CH3COO]- 302.987361 190.0
[M+Na-2H]- 264.948176 147.0
[M]+ 243.97296142 162.6
[M]- 243.97405858 162.6
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

patents stripe