CID 13883

2-(1,3,4-oxadiazol-2-yl)phenol

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC=C(C(=C1)C2=NN=CO2)O
InChI
InChI=1S/C8H6N2O2/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H
InChIKey
OINXXHYENYVYPB-UHFFFAOYSA-N
Compound name
2-(1,3,4-oxadiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

348
Patents

162.04292 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.050196 128.9
[M+Na]+ 185.032138 138.7
[M-H]- 161.035644 133.0
[M+NH4]+ 180.076743 146.7
[M+K]+ 201.006078 137.2
[M+H-H2O]+ 145.040180 121.6
[M+HCOO]- 207.041121 151.5
[M+CH3COO]- 221.056771 143.1
[M+Na-2H]- 183.017586 137.2
[M]+ 162.04237142 129.7
[M]- 162.04346858 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