CID 16220130

2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol

Structural Information

Molecular Formula
C18H13Cl2NO2
SMILES
C1=CC=NC(=C1)CC2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2
InChIKey
AOVDSWPGWPRTSR-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

345.03235 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.03963 175.0
[M+Na]+ 368.02157 185.4
[M-H]- 344.02507 181.7
[M+NH4]+ 363.06617 187.6
[M+K]+ 383.99551 177.5
[M+H-H2O]+ 328.02961 166.6
[M+HCOO]- 390.03055 187.1
[M+CH3COO]- 404.04620 185.9
[M+Na-2H]- 366.00702 178.8
[M]+ 345.03180 179.5
[M]- 345.03290 179.5
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