CID 2775270

3-hydroxy-4-iodobenzaldehyde

Structural Information

Molecular Formula
C7H5IO2
SMILES
C1=CC(=C(C=C1C=O)O)I
InChI
InChI=1S/C7H5IO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H
InChIKey
IHLOHISMHMTTAA-UHFFFAOYSA-N
Compound name
3-hydroxy-4-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

247.93343 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.94071 134.6
[M+Na]+ 270.92265 137.1
[M-H]- 246.92615 130.7
[M+NH4]+ 265.96725 150.9
[M+K]+ 286.89659 140.8
[M+H-H2O]+ 230.93069 126.1
[M+HCOO]- 292.93163 153.5
[M+CH3COO]- 306.94728 180.0
[M+Na-2H]- 268.90810 129.3
[M]+ 247.93288 132.3
[M]- 247.93398 132.3
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