CID 262240

5-iodo-2-methoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

261.94907 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe