CID 14120945

3-bromo-2-hydroxy-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7BrO3
SMILES
COC1=C(C(=C(C=C1)C=O)O)Br
InChI
InChI=1S/C8H7BrO3/c1-12-6-3-2-5(4-10)8(11)7(6)9/h2-4,11H,1H3
InChIKey
CBUUYFPVPUGOLS-UHFFFAOYSA-N
Compound name
3-bromo-2-hydroxy-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

229.95786 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.965136 136.2
[M+Na]+ 252.947078 149.3
[M-H]- 228.950584 142.0
[M+NH4]+ 247.991683 157.7
[M+K]+ 268.921018 138.7
[M+H-H2O]+ 212.955120 136.7
[M+HCOO]- 274.956061 157.8
[M+CH3COO]- 288.971711 184.8
[M+Na-2H]- 250.932526 143.4
[M]+ 229.95731142 157.0
[M]- 229.95840858 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe