CID 13140161

4-iodo-2-phenylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

295.96982 Da
Monoisotopic Mass

3.7
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

No literature data available for this compound.

Patent stripe

patents stripe