CID 7020611

2-hydroxy-5-iodo-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7IO3
SMILES
COC1=CC(=CC(=C1O)C=O)I
InChI
InChI=1S/C8H7IO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3
InChIKey
KVQIQUILJIOMHJ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-iodo-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

277.944 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.951276 142.6
[M+Na]+ 300.933218 145.4
[M-H]- 276.936724 138.8
[M+NH4]+ 295.977823 157.9
[M+K]+ 316.907158 149.4
[M+H-H2O]+ 260.941260 133.8
[M+HCOO]- 322.942201 161.3
[M+CH3COO]- 336.957851 186.0
[M+Na-2H]- 298.918666 135.9
[M]+ 277.94345142 142.3
[M]- 277.94454858 142.3
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