CID 2778113

3-iodo-4,5-dimethoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

166
Patents

291.95963 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.96691 145.6
[M+Na]+ 314.94885 148.5
[M-H]- 290.95235 143.0
[M+NH4]+ 309.99345 161.1
[M+K]+ 330.92279 153.1
[M+H-H2O]+ 274.95689 136.4
[M+HCOO]- 336.95783 165.5
[M+CH3COO]- 350.97348 191.3
[M+Na-2H]- 312.93430 139.1
[M]+ 291.95908 147.6
[M]- 291.96018 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

literature stripe

Patent stripe

patents stripe