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]+ 271.063276 159.0
[M+Na]+ 293.045218 167.9
[M-H]- 269.048724 166.6
[M+NH4]+ 288.089823 173.2
[M+K]+ 309.019158 163.2
[M+H-H2O]+ 253.053260 149.7
[M+HCOO]- 315.054201 175.9
[M+CH3COO]- 329.069851 171.2
[M+Na-2H]- 291.030666 164.1
[M]+ 270.05545142 161.4
[M]- 270.05654858 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.