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]+ 239.05818 149.2
[M+Na]+ 261.04012 164.3
[M+NH4]+ 256.08472 157.4
[M+K]+ 277.01406 159.0
[M-H]- 237.04362 153.2
[M+Na-2H]- 259.02557 157.1
[M]+ 238.05035 152.8
[M]- 238.05145 152.8
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