CID 1494374

4-hydroxy-3-iodo-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H4INO4
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C=O
InChI
InChI=1S/C7H4INO4/c8-5-1-4(3-10)2-6(7(5)11)9(12)13/h1-3,11H
InChIKey
NVMYBVZAFRMSDV-UHFFFAOYSA-N
Compound name
4-hydroxy-3-iodo-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

292.91852 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.925796 149.7
[M+Na]+ 315.907738 151.7
[M-H]- 291.911244 146.1
[M+NH4]+ 310.952343 163.4
[M+K]+ 331.881678 151.7
[M+H-H2O]+ 275.915780 145.0
[M+HCOO]- 337.916721 169.4
[M+CH3COO]- 351.932371 182.1
[M+Na-2H]- 313.893186 144.1
[M]+ 292.91797142 146.5
[M]- 292.91906858 146.5
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