CID 43810477

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

Structural Information

Molecular Formula
C8H7ClN2O2
SMILES
CC(C1=NC(=NO1)C2=CC=CO2)Cl
InChI
InChI=1S/C8H7ClN2O2/c1-5(9)8-10-7(11-13-8)6-3-2-4-12-6/h2-5H,1H3
InChIKey
POHJBSGNXADHRQ-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0196 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02688 137.4
[M+Na]+ 221.00882 148.7
[M-H]- 197.01232 143.5
[M+NH4]+ 216.05342 155.7
[M+K]+ 236.98276 148.0
[M+H-H2O]+ 181.01686 130.9
[M+HCOO]- 243.01780 156.7
[M+CH3COO]- 257.03345 152.3
[M+Na-2H]- 218.99427 143.0
[M]+ 198.01905 143.9
[M]- 198.02015 143.9
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.