CID 135429330

4-chloro-2-[5-(2-pyridyl)isoxazol-3-yl]phenol

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC=NC(=C1)C2=CC(=NO2)C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C14H9ClN2O2/c15-9-4-5-13(18)10(7-9)12-8-14(19-17-12)11-3-1-2-6-16-11/h1-8,18H
InChIKey
GCEGISSNXJJBFT-UHFFFAOYSA-N
Compound name
4-chloro-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.03525 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04253 158.0
[M+Na]+ 295.02447 168.9
[M-H]- 271.02797 165.2
[M+NH4]+ 290.06907 172.1
[M+K]+ 310.99841 163.8
[M+H-H2O]+ 255.03251 149.4
[M+HCOO]- 317.03345 175.0
[M+CH3COO]- 331.04910 170.6
[M+Na-2H]- 293.00992 163.0
[M]+ 272.03470 161.1
[M]- 272.03580 161.1
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