CID 854041

2,4-dichloro-6-(5-isoxazolyl)phenol

Structural Information

Molecular Formula
C9H5Cl2NO2
SMILES
C1=C(ON=C1)C2=C(C(=CC(=C2)Cl)Cl)O
InChI
InChI=1S/C9H5Cl2NO2/c10-5-3-6(8-1-2-12-14-8)9(13)7(11)4-5/h1-4,13H
InChIKey
NWTXPEMLVWSELN-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.96973 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.97701 142.9
[M+Na]+ 251.95895 154.9
[M-H]- 227.96245 147.8
[M+NH4]+ 247.00355 161.1
[M+K]+ 267.93289 150.3
[M+H-H2O]+ 211.96699 137.7
[M+HCOO]- 273.96793 156.4
[M+CH3COO]- 287.98358 156.7
[M+Na-2H]- 249.94440 147.8
[M]+ 228.96918 147.2
[M]- 228.97028 147.2
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

patents stripe