CID 2517655

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

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC1=CC=CC=C1C2=NOC(=N2)CCl
InChI
InChI=1S/C10H9ClN2O/c1-7-4-2-3-5-8(7)10-12-9(6-11)14-13-10/h2-5H,6H2,1H3
InChIKey
DNKNARHPWPLDBY-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

208.04034 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 141.9
[M+Na]+ 231.02956 152.9
[M-H]- 207.03306 146.9
[M+NH4]+ 226.07416 159.6
[M+K]+ 247.00350 149.5
[M+H-H2O]+ 191.03760 134.5
[M+HCOO]- 253.03854 160.2
[M+CH3COO]- 267.05419 155.8
[M+Na-2H]- 229.01501 148.0
[M]+ 208.03979 146.0
[M]- 208.04089 146.0
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