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]+ 230.96514 136.2
[M+Na]+ 252.94708 149.3
[M-H]- 228.95058 142.0
[M+NH4]+ 247.99168 157.7
[M+K]+ 268.92102 138.7
[M+H-H2O]+ 212.95512 136.7
[M+HCOO]- 274.95606 157.8
[M+CH3COO]- 288.97171 184.8
[M+Na-2H]- 250.93253 143.4
[M]+ 229.95731 157.0
[M]- 229.95841 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