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]+ 275.05818 158.5
[M+Na]+ 297.04012 171.0
[M-H]- 273.04362 164.9
[M+NH4]+ 292.08472 174.7
[M+K]+ 313.01406 166.5
[M+H-H2O]+ 257.04816 150.3
[M+HCOO]- 319.04910 176.9
[M+CH3COO]- 333.06475 172.0
[M+Na-2H]- 295.02557 165.4
[M]+ 274.05035 166.1
[M]- 274.05145 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.