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]+ 262.95635 139.6
[M+Na]+ 284.93829 141.6
[M-H]- 260.94179 135.4
[M+NH4]+ 279.98289 155.3
[M+K]+ 300.91223 145.1
[M+H-H2O]+ 244.94633 130.8
[M+HCOO]- 306.94727 158.1
[M+CH3COO]- 320.96292 182.9
[M+Na-2H]- 282.92374 133.6
[M]+ 261.94852 137.6
[M]- 261.94962 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.