CID 125511807

2-(chloromethyl)-5-(3-methoxynaphthalen-2-yl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C14H11ClN2O2
SMILES
COC1=CC2=CC=CC=C2C=C1C3=NN=C(O3)CCl
InChI
InChI=1S/C14H11ClN2O2/c1-18-12-7-10-5-3-2-4-9(10)6-11(12)14-17-16-13(8-15)19-14/h2-7H,8H2,1H3
InChIKey
NJKBRJKOBPMPRU-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(3-methoxynaphthalen-2-yl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.058176 158.5
[M+Na]+ 297.040118 171.0
[M-H]- 273.043624 164.9
[M+NH4]+ 292.084723 174.7
[M+K]+ 313.014058 166.5
[M+H-H2O]+ 257.048160 150.3
[M+HCOO]- 319.049101 176.9
[M+CH3COO]- 333.064751 172.0
[M+Na-2H]- 295.025566 165.4
[M]+ 274.05035142 166.1
[M]- 274.05144858 166.1
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.