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

33
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 149.4
[M+Na]+ 522.71592 138.9
[M-H]- 498.71942 139.6
[M+NH4]+ 517.76052 153.1
[M+K]+ 538.68986 152.4
[M+H-H2O]+ 482.72396 138.1
[M+HCOO]- 544.72490 155.1
[M+CH3COO]- 558.74055 218.7
[M+Na-2H]- 520.70137 135.2
[M]+ 499.72615 144.3
[M]- 499.72725 144.3
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