CID 456811

2,5diphoxadiazo

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC=C(C=C1)C2N=NC(O2)C3=CC=CC=C3
InChI
InChI=1S/C14H12N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10,13-14H
InChIKey
AQOWUZGGNHQCTD-UHFFFAOYSA-N
Compound name
2,5-diphenyl-2,5-dihydro-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.09496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 147.9
[M+Na]+ 247.08418 155.9
[M-H]- 223.08768 155.6
[M+NH4]+ 242.12878 163.2
[M+K]+ 263.05812 152.8
[M+H-H2O]+ 207.09222 138.6
[M+HCOO]- 269.09316 169.6
[M+CH3COO]- 283.10881 160.7
[M+Na-2H]- 245.06963 154.4
[M]+ 224.09441 147.1
[M]- 224.09551 147.1
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.