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

220
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

literature stripe

Patent stripe

patents stripe