CID 578506

2-(5-isoxazolyl)phenol

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC=C(C(=C1)C2=CC=NO2)O
InChI
InChI=1S/C9H7NO2/c11-8-4-2-1-3-7(8)9-5-6-10-12-9/h1-6,11H
InChIKey
DBDXTIAEVFSDNN-UHFFFAOYSA-N
Compound name
2-(1,2-oxazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

161.04768 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 129.0
[M+Na]+ 184.03690 138.3
[M-H]- 160.04040 134.4
[M+NH4]+ 179.08150 148.2
[M+K]+ 200.01084 136.9
[M+H-H2O]+ 144.04494 122.6
[M+HCOO]- 206.04588 152.7
[M+CH3COO]- 220.06153 143.6
[M+Na-2H]- 182.02235 136.9
[M]+ 161.04713 129.7
[M]- 161.04823 129.7
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