CID 307971

5-(chloromethyl)-3-(furan-2-yl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C7H5ClN2O2
SMILES
C1=COC(=C1)C2=NOC(=N2)CCl
InChI
InChI=1S/C7H5ClN2O2/c8-4-6-9-7(10-12-6)5-2-1-3-11-5/h1-3H,4H2
InChIKey
OJQHUMFLEARHQO-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.00395 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01123 132.0
[M+Na]+ 206.99317 144.1
[M-H]- 182.99667 138.1
[M+NH4]+ 202.03777 150.9
[M+K]+ 222.96711 143.2
[M+H-H2O]+ 167.00121 125.7
[M+HCOO]- 229.00215 152.6
[M+CH3COO]- 243.01780 147.4
[M+Na-2H]- 204.97862 139.3
[M]+ 184.00340 138.7
[M]- 184.00450 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe