CID 92346

3-(2,5-dichlorophenyl)phenol

Structural Information

Molecular Formula
C12H8Cl2O
SMILES
C1=CC(=CC(=C1)O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2O/c13-9-4-5-12(14)11(7-9)8-2-1-3-10(15)6-8/h1-7,15H
InChIKey
MRRLNQOPCMALNK-UHFFFAOYSA-N
Compound name
3-(2,5-dichlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

237.99522 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.002496 145.5
[M+Na]+ 260.984438 156.6
[M-H]- 236.987944 150.8
[M+NH4]+ 256.029043 164.3
[M+K]+ 276.958378 149.7
[M+H-H2O]+ 220.992480 140.9
[M+HCOO]- 282.993421 159.6
[M+CH3COO]- 297.009071 158.8
[M+Na-2H]- 258.969886 150.9
[M]+ 237.99467142 148.1
[M]- 237.99576858 148.1
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