CID 2064030

4-hydroxy-4'-iodobiphenyl

Structural Information

Molecular Formula
C12H9IO
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)I)O
InChI
InChI=1S/C12H9IO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H
InChIKey
WJXIAMCDWSUSEI-UHFFFAOYSA-N
Compound name
4-(4-iodophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

97
Patents

295.96982 Da
Monoisotopic Mass

4.5
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