CID 19764164

5-(1-chloroethyl)-3-(propan-2-yl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C7H11ClN2O
SMILES
CC(C)C1=NOC(=N1)C(C)Cl
InChI
InChI=1S/C7H11ClN2O/c1-4(2)6-9-7(5(3)8)11-10-6/h4-5H,1-3H3
InChIKey
UPWCEHOTWIZDPS-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-propan-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

174.05598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.063256 135.1
[M+Na]+ 197.045198 144.5
[M-H]- 173.048704 136.8
[M+NH4]+ 192.089803 154.2
[M+K]+ 213.019138 143.5
[M+H-H2O]+ 157.053240 128.9
[M+HCOO]- 219.054181 151.0
[M+CH3COO]- 233.069831 179.4
[M+Na-2H]- 195.030646 139.1
[M]+ 174.05543142 138.8
[M]- 174.05652858 138.8
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