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]+ 273.042526 158.0
[M+Na]+ 295.024468 168.9
[M-H]- 271.027974 165.2
[M+NH4]+ 290.069073 172.1
[M+K]+ 310.998408 163.8
[M+H-H2O]+ 255.032510 149.4
[M+HCOO]- 317.033451 175.0
[M+CH3COO]- 331.049101 170.6
[M+Na-2H]- 293.009916 163.0
[M]+ 272.03470142 161.1
[M]- 272.03579858 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