CID 262238

5-bromo-2-hydroxy-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7BrO3
SMILES
COC1=CC(=CC(=C1O)C=O)Br
InChI
InChI=1S/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3
InChIKey
MMFKBTPDEVLIOR-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

462
Patents

229.95786 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 138.5
[M+Na]+ 252.94708 142.3
[M+NH4]+ 247.99168 142.8
[M+K]+ 268.92102 142.8
[M-H]- 228.95058 138.3
[M+Na-2H]- 250.93253 141.5
[M]+ 229.95731 137.7
[M]- 229.95841 137.7
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