CID 612496

3-bromo-5-ethoxy-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C9H9BrO3
SMILES
CCOC1=C(C(=CC(=C1)C=O)Br)O
InChI
InChI=1S/C9H9BrO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3
InChIKey
GWEFTCNMUHHQLP-UHFFFAOYSA-N
Compound name
3-bromo-5-ethoxy-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

243.97351 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 140.9
[M+Na]+ 266.96273 153.6
[M-H]- 242.96623 146.5
[M+NH4]+ 262.00733 161.9
[M+K]+ 282.93667 142.7
[M+H-H2O]+ 226.97077 141.2
[M+HCOO]- 288.97171 162.2
[M+CH3COO]- 302.98736 187.6
[M+Na-2H]- 264.94818 147.6
[M]+ 243.97296 162.0
[M]- 243.97406 162.0
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

patents stripe