CID 12346120

4-(4-chlorophenoxy)phenol

Structural Information

Molecular Formula
C12H9ClO2
SMILES
C1=CC(=CC=C1O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
InChIKey
XQMRZWSYBUCVAX-UHFFFAOYSA-N
Compound name
4-(4-chlorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

266
Patents

220.02911 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03639 143.0
[M+Na]+ 243.01833 152.8
[M-H]- 219.02183 148.9
[M+NH4]+ 238.06293 161.8
[M+K]+ 258.99227 147.8
[M+H-H2O]+ 203.02637 137.3
[M+HCOO]- 265.02731 162.5
[M+CH3COO]- 279.04296 183.6
[M+Na-2H]- 241.00378 149.9
[M]+ 220.02856 145.4
[M]- 220.02966 145.4
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

No patent data available for this compound.