CID 6452830

2-chloro-5-(4-chlorophenyl)phenol

Structural Information

Molecular Formula
C12H8Cl2O
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)Cl)O)Cl
InChI
InChI=1S/C12H8Cl2O/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7,15H
InChIKey
YIRDONCMEBQOJP-UHFFFAOYSA-N
Compound name
2-chloro-5-(4-chlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

237.99522 Da
Monoisotopic Mass

4.4
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