CID 59396

1,3,4-oxadiazole, 5-(o-chlorophenyl)-2-(1-naphthyl)-

Structural Information

Molecular Formula
C18H11ClN2O
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC=CC=C4Cl
InChI
InChI=1S/C18H11ClN2O/c19-16-11-4-3-9-15(16)18-21-20-17(22-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H
InChIKey
ALRBTNFQZDXXRG-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.056 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06328 169.1
[M+Na]+ 329.04522 181.3
[M-H]- 305.04872 178.3
[M+NH4]+ 324.08982 183.3
[M+K]+ 345.01916 174.7
[M+H-H2O]+ 289.05326 159.4
[M+HCOO]- 351.05420 187.0
[M+CH3COO]- 365.06985 181.8
[M+Na-2H]- 327.03067 175.7
[M]+ 306.05545 174.1
[M]- 306.05655 174.1
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.