CID 618538

2-bromo-3,4-dimethoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
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 139.7
[M+Na]+ 266.96273 152.9
[M-H]- 242.96623 146.7
[M+NH4]+ 262.00733 161.4
[M+K]+ 282.93667 143.0
[M+H-H2O]+ 226.97077 139.9
[M+HCOO]- 288.97171 162.4
[M+CH3COO]- 302.98736 190.0
[M+Na-2H]- 264.94818 147.0
[M]+ 243.97296 162.6
[M]- 243.97406 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