CID 18807

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

Structural Information

Molecular Formula
C12H8Cl2O2
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)O)Cl
InChI
InChI=1S/C12H8Cl2O2/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H
InChIKey
BYNQFCJOHGOKSS-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-chlorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

2845
Patents

253.99013 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.997406 148.3
[M+Na]+ 276.979348 159.4
[M-H]- 252.982854 153.8
[M+NH4]+ 272.023953 166.4
[M+K]+ 292.953288 153.1
[M+H-H2O]+ 236.987390 143.5
[M+HCOO]- 298.988331 162.7
[M+CH3COO]- 313.003981 189.3
[M+Na-2H]- 274.964796 153.8
[M]+ 253.98958142 152.4
[M]- 253.99067858 152.4
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