CID 7131695

2-(chloromethyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CCOC1=CC=C(C=C1)C2=NN=C(O2)CCl
InChI
InChI=1S/C11H11ClN2O2/c1-2-15-9-5-3-8(4-6-9)11-14-13-10(7-12)16-11/h3-6H,2,7H2,1H3
InChIKey
JOLLRICCFLRLNT-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.0509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 149.4
[M+Na]+ 261.040118 159.8
[M-H]- 237.043624 154.3
[M+NH4]+ 256.084723 165.8
[M+K]+ 277.014058 156.7
[M+H-H2O]+ 221.048160 141.6
[M+HCOO]- 283.049101 167.6
[M+CH3COO]- 297.064751 188.3
[M+Na-2H]- 259.025566 155.0
[M]+ 238.05035142 155.2
[M]- 238.05144858 155.2
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

patents stripe