CID 14675846

5-[chloro(phenyl)methyl]-3-phenyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)C(C3=CC=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2O/c16-13(11-7-3-1-4-8-11)15-17-14(18-19-15)12-9-5-2-6-10-12/h1-10,13H
InChIKey
NPDCXSSTOLDJSL-UHFFFAOYSA-N
Compound name
5-[chloro(phenyl)methyl]-3-phenyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.056 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 159.0
[M+Na]+ 293.04522 167.9
[M-H]- 269.04872 166.6
[M+NH4]+ 288.08982 173.2
[M+K]+ 309.01916 163.2
[M+H-H2O]+ 253.05326 149.7
[M+HCOO]- 315.05420 175.9
[M+CH3COO]- 329.06985 171.2
[M+Na-2H]- 291.03067 164.1
[M]+ 270.05545 161.4
[M]- 270.05655 161.4
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.