CID 4962558

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

Structural Information

Molecular Formula
C11H11ClN2O3
SMILES
COC1=CC(=C(C=C1)C2=NOC(=N2)CCl)OC
InChI
InChI=1S/C11H11ClN2O3/c1-15-7-3-4-8(9(5-7)16-2)11-13-10(6-12)17-14-11/h3-5H,6H2,1-2H3
InChIKey
PAIAKDQUXNBITM-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.04582 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05310 152.0
[M+Na]+ 277.03504 163.2
[M-H]- 253.03854 157.4
[M+NH4]+ 272.07964 168.0
[M+K]+ 293.00898 160.7
[M+H-H2O]+ 237.04308 144.4
[M+HCOO]- 299.04402 170.4
[M+CH3COO]- 313.05967 191.6
[M+Na-2H]- 275.02049 157.0
[M]+ 254.04527 159.7
[M]- 254.04637 159.7
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.