CID 23184363

5-(1-chloroethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC(C1=NC(=NO1)C2=CC=C(C=C2)OC)Cl
InChI
InChI=1S/C11H11ClN2O2/c1-7(12)11-13-10(14-16-11)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3
InChIKey
KLXXFYYQCQGACJ-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 149.4
[M+Na]+ 261.04012 159.5
[M-H]- 237.04362 154.5
[M+NH4]+ 256.08472 165.8
[M+K]+ 277.01406 157.0
[M+H-H2O]+ 221.04816 141.8
[M+HCOO]- 283.04910 166.7
[M+CH3COO]- 297.06475 189.2
[M+Na-2H]- 259.02557 153.9
[M]+ 238.05035 154.7
[M]- 238.05145 154.7
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