CID 140694

20469-63-0

Structural Information

Molecular Formula
C8H9IO2
SMILES
COC1=CC(=C(C=C1)I)OC
InChI
InChI=1S/C8H9IO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey
ZDUYJCKEORTAQE-UHFFFAOYSA-N
Compound name
1-iodo-2,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

162
Patents

263.96472 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.971996 139.6
[M+Na]+ 286.953938 141.8
[M-H]- 262.957444 136.8
[M+NH4]+ 281.998543 156.0
[M+K]+ 302.927878 146.7
[M+H-H2O]+ 246.961980 130.6
[M+HCOO]- 308.962921 159.4
[M+CH3COO]- 322.978571 186.2
[M+Na-2H]- 284.939386 134.2
[M]+ 263.96417142 140.1
[M]- 263.96526858 140.1
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