CID 131451833

3-(hydroxymethyl)-5-iodobenzaldehyde

Structural Information

Molecular Formula
C8H7IO2
SMILES
C1=C(C=C(C=C1C=O)I)CO
InChI
InChI=1S/C8H7IO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-4,11H,5H2
InChIKey
CIAOAHKAARMOSK-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-5-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.94907 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.956346 139.6
[M+Na]+ 284.938288 141.6
[M-H]- 260.941794 135.4
[M+NH4]+ 279.982893 155.3
[M+K]+ 300.912228 145.1
[M+H-H2O]+ 244.946330 130.8
[M+HCOO]- 306.947271 158.1
[M+CH3COO]- 320.962921 182.9
[M+Na-2H]- 282.923736 133.6
[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

No patent data available for this compound.