CID 4321695

6-iodo-2,3-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C9H9IO3
SMILES
COC1=C(C(=C(C=C1)I)C=O)OC
InChI
InChI=1S/C9H9IO3/c1-12-8-4-3-7(10)6(5-11)9(8)13-2/h3-5H,1-2H3
InChIKey
ASLLDFGHHQJPIF-UHFFFAOYSA-N
Compound name
6-iodo-2,3-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.95963 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.966906 145.6
[M+Na]+ 314.948848 148.5
[M-H]- 290.952354 143.0
[M+NH4]+ 309.993453 161.1
[M+K]+ 330.922788 153.1
[M+H-H2O]+ 274.956890 136.4
[M+HCOO]- 336.957831 165.5
[M+CH3COO]- 350.973481 191.3
[M+Na-2H]- 312.934296 139.1
[M]+ 291.95908142 147.6
[M]- 291.96017858 147.6
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

No patent data available for this compound.