CID 200672

2491-96-5

Structural Information

Molecular Formula
C14H10N2O3
SMILES
C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=CC=C3O)O
InChI
InChI=1S/C14H10N2O3/c17-11-7-3-1-5-9(11)13-15-16-14(19-13)10-6-2-4-8-12(10)18/h1-8,17-18H
InChIKey
SEMAVAGWZWRRKM-UHFFFAOYSA-N
Compound name
2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

254.06914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07642 154.1
[M+Na]+ 277.05836 163.8
[M-H]- 253.06186 160.4
[M+NH4]+ 272.10296 167.3
[M+K]+ 293.03230 159.9
[M+H-H2O]+ 237.06640 145.5
[M+HCOO]- 299.06734 174.6
[M+CH3COO]- 313.08299 166.5
[M+Na-2H]- 275.04381 159.4
[M]+ 254.06859 154.7
[M]- 254.06969 154.7
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