CID 4300762

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

162.04292 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 130.3
[M+Na]+ 185.03214 144.3
[M+NH4]+ 180.07674 138.4
[M+K]+ 201.00608 140.7
[M-H]- 161.03564 133.8
[M+Na-2H]- 183.01759 138.6
[M]+ 162.04237 133.2
[M]- 162.04347 133.2
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