CID 4962683

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

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
CC1=CC(=CC=C1)C2=NN=C(O2)C(C)Cl
InChI
InChI=1S/C11H11ClN2O/c1-7-4-3-5-9(6-7)11-14-13-10(15-11)8(2)12/h3-6,8H,1-2H3
InChIKey
CRIYFDWVUKKTIA-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05598 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06326 146.6
[M+Na]+ 245.04520 156.9
[M-H]- 221.04870 151.7
[M+NH4]+ 240.08980 163.7
[M+K]+ 261.01914 153.7
[M+H-H2O]+ 205.05324 139.1
[M+HCOO]- 267.05418 163.6
[M+CH3COO]- 281.06983 160.0
[M+Na-2H]- 243.03065 151.1
[M]+ 222.05543 150.5
[M]- 222.05653 150.5
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.