CID 129966841

5-chloro-2-hydroxy-3-iodobenzonitrile

Structural Information

Molecular Formula
C7H3ClINO
SMILES
C1=C(C=C(C(=C1C#N)O)I)Cl
InChI
InChI=1S/C7H3ClINO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H
InChIKey
OTIYEEXWASQOEU-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-3-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.89478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.90206 139.9
[M+Na]+ 301.88400 146.3
[M-H]- 277.88750 136.7
[M+NH4]+ 296.92860 154.6
[M+K]+ 317.85794 146.7
[M+H-H2O]+ 261.89204 126.9
[M+HCOO]- 323.89298 151.7
[M+CH3COO]- 337.90863 196.4
[M+Na-2H]- 299.86945 134.5
[M]+ 278.89423 134.6
[M]- 278.89533 134.6
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