CID 16206011

Ns00040154

Structural Information

Molecular Formula
C16H10N2O2
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=C4C=CC=CC4=CO3
InChI
InChI=1S/C16H10N2O2/c1-2-6-11(7-3-1)15-17-18-16(20-15)14-13-9-5-4-8-12(13)10-19-14/h1-10H
InChIKey
GXJVXHYOSYCJIA-UHFFFAOYSA-N
Compound name
2-(2-benzofuran-1-yl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.07422 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.081496 154.4
[M+Na]+ 285.063438 165.9
[M-H]- 261.066944 165.2
[M+NH4]+ 280.108043 170.1
[M+K]+ 301.037378 163.4
[M+H-H2O]+ 245.071480 146.6
[M+HCOO]- 307.072421 178.1
[M+CH3COO]- 321.088071 168.6
[M+Na-2H]- 283.048886 161.1
[M]+ 262.07367142 159.3
[M]- 262.07476858 159.3
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

No patent data available for this compound.