CID 15530

Ioxynil

Structural Information

Molecular Formula
C7H3I2NO
SMILES
C1=C(C=C(C(=C1I)O)I)C#N
InChI
InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey
NRXQIUSYPAHGNM-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5-diiodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

60
References

33675
Patents

370.8304 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.83768 144.9
[M+Na]+ 393.81962 142.6
[M-H]- 369.82312 137.2
[M+NH4]+ 388.86422 153.6
[M+K]+ 409.79356 150.2
[M+H-H2O]+ 353.82766 129.8
[M+HCOO]- 415.82860 154.5
[M+CH3COO]- 429.84425 208.6
[M+Na-2H]- 391.80507 133.9
[M]+ 370.82985 136.7
[M]- 370.83095 136.7
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.