CID 11033712

Chembl233500

Structural Information

Molecular Formula
C14H9Cl2NO2
SMILES
C1=CC(=CC=C1OCC2=NC3=C(O2)C=CC(=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl2NO2/c15-9-1-4-11(5-2-9)18-8-14-17-12-7-10(16)3-6-13(12)19-14/h1-7H,8H2
InChIKey
OIOYCMYWHIMYNV-UHFFFAOYSA-N
Compound name
5-chloro-2-[(4-chlorophenoxy)methyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.00104 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.00832 161.1
[M+Na]+ 315.99026 173.9
[M-H]- 291.99376 168.1
[M+NH4]+ 311.03486 178.3
[M+K]+ 331.96420 168.4
[M+H-H2O]+ 275.99830 154.4
[M+HCOO]- 337.99924 175.5
[M+CH3COO]- 352.01489 174.5
[M+Na-2H]- 313.97571 167.2
[M]+ 293.00049 169.4
[M]- 293.00159 169.4
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

No patent data available for this compound.