CID 714770

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

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC(=CC=C1C2=NN=CO2)O
InChI
InChI=1S/C8H6N2O2/c11-7-3-1-6(2-4-7)8-10-9-5-12-8/h1-5,11H
InChIKey
WENOJMGPELLGMA-UHFFFAOYSA-N
Compound name
4-(1,3,4-oxadiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
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

No literature data available for this compound.

Patent stripe

patents stripe