CID 2797128

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

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=CC=CC=C1C2=NC(=NO2)CCl
InChI
InChI=1S/C10H9ClN2O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)13-15-10/h2-5H,6H2,1H3
InChIKey
ZOWLLEBVXDSRDI-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

224.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 144.7
[M+Na]+ 247.024468 155.5
[M-H]- 223.027974 149.7
[M+NH4]+ 242.069073 161.7
[M+K]+ 262.998408 152.7
[M+H-H2O]+ 207.032510 137.1
[M+HCOO]- 269.033451 163.2
[M+CH3COO]- 283.049101 185.3
[M+Na-2H]- 245.009916 150.8
[M]+ 224.03470142 150.2
[M]- 224.03579858 150.2
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