CID 4106140

4-hydroxy-3-iodobiphenyl

Structural Information

Molecular Formula
C12H9IO
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)O)I
InChI
InChI=1S/C12H9IO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
InChIKey
RXRDOSHIMLSXKG-UHFFFAOYSA-N
Compound name
2-iodo-4-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

295.96982 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.97710 148.2
[M+Na]+ 318.95904 149.6
[M-H]- 294.96254 146.6
[M+NH4]+ 314.00364 162.2
[M+K]+ 334.93298 151.5
[M+H-H2O]+ 278.96708 138.0
[M+HCOO]- 340.96802 166.4
[M+CH3COO]- 354.98367 189.1
[M+Na-2H]- 316.94449 142.9
[M]+ 295.96927 144.3
[M]- 295.97037 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

literature stripe

Patent stripe

patents stripe