CID 14104556

4-iodo-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7IO2
SMILES
COC1=C(C=CC(=C1)C=O)I
InChI
InChI=1S/C8H7IO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3
InChIKey
PHSPBXTVMJOTQN-UHFFFAOYSA-N
Compound name
4-iodo-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

261.94907 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.956346 137.7
[M+Na]+ 284.938288 140.2
[M-H]- 260.941794 134.9
[M+NH4]+ 279.982893 154.1
[M+K]+ 300.912228 144.5
[M+H-H2O]+ 244.946330 128.8
[M+HCOO]- 306.947271 157.7
[M+CH3COO]- 320.962921 185.4
[M+Na-2H]- 282.923736 132.4
[M]+ 261.94852142 137.6
[M]- 261.94961858 137.6
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

patents stripe