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

33908
Patents

370.8304 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.837676 144.9
[M+Na]+ 393.819618 142.6
[M-H]- 369.823124 137.2
[M+NH4]+ 388.864223 153.6
[M+K]+ 409.793558 150.2
[M+H-H2O]+ 353.827660 129.8
[M+HCOO]- 415.828601 154.5
[M+CH3COO]- 429.844251 208.6
[M+Na-2H]- 391.805066 133.9
[M]+ 370.82985142 136.7
[M]- 370.83094858 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

literature stripe

Patent stripe

patents stripe