CID 71756232

5-(chloromethyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC1=C(C=C(C=C1)C2=NOC(=N2)CCl)OC
InChI
InChI=1S/C11H11ClN2O2/c1-7-3-4-8(5-9(7)15-2)11-13-10(6-12)16-14-11/h3-5H,6H2,1-2H3
InChIKey
ZAJWENMOTITTER-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 149.4
[M+Na]+ 261.040118 160.8
[M-H]- 237.043624 154.8
[M+NH4]+ 256.084723 166.2
[M+K]+ 277.014058 157.7
[M+H-H2O]+ 221.048160 141.9
[M+HCOO]- 283.049101 167.6
[M+CH3COO]- 297.064751 189.5
[M+Na-2H]- 259.025566 154.4
[M]+ 238.05035142 155.7
[M]- 238.05144858 155.7
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

No patent data available for this compound.