CID 58456730

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

Structural Information

Molecular Formula
C5H5ClF2N2O
SMILES
CC(C1=NOC(=N1)CCl)(F)F
InChI
InChI=1S/C5H5ClF2N2O/c1-5(7,8)4-9-3(2-6)11-10-4/h2H2,1H3
InChIKey
HDPVQXHCCPWCGC-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(1,1-difluoroethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.00584 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01312 129.9
[M+Na]+ 204.99506 140.9
[M-H]- 180.99856 129.1
[M+NH4]+ 200.03966 148.6
[M+K]+ 220.96900 139.1
[M+H-H2O]+ 165.00310 122.4
[M+HCOO]- 227.00404 144.6
[M+CH3COO]- 241.01969 177.5
[M+Na-2H]- 202.98051 136.8
[M]+ 182.00529 131.2
[M]- 182.00639 131.2
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