CID 237827

3-hydroxy-2,4,6-triiodobenzaldehyde

Structural Information

Molecular Formula
C7H3I3O2
SMILES
C1=C(C(=C(C(=C1I)O)I)C=O)I
InChI
InChI=1S/C7H3I3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H
InChIKey
PYEXBDXARWXOHC-UHFFFAOYSA-N
Compound name
3-hydroxy-2,4,6-triiodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

499.7267 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.73398 159.8
[M+Na]+ 522.71592 150.5
[M+NH4]+ 517.76052 155.3
[M+K]+ 538.68986 155.2
[M-H]- 498.71942 146.6
[M+Na-2H]- 520.70137 142.0
[M]+ 499.72615 152.4
[M]- 499.72725 152.4
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