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
2
Annotation Hits

15
References

304
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 128.9
[M+Na]+ 185.03214 138.7
[M-H]- 161.03564 133.0
[M+NH4]+ 180.07674 146.7
[M+K]+ 201.00608 137.2
[M+H-H2O]+ 145.04018 121.6
[M+HCOO]- 207.04112 151.5
[M+CH3COO]- 221.05677 143.1
[M+Na-2H]- 183.01759 137.2
[M]+ 162.04237 129.7
[M]- 162.04347 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