CID 43513015

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

Structural Information

Molecular Formula
C5H5ClF2N2O
SMILES
CC(C1=NN=C(O1)C(F)F)Cl
InChI
InChI=1S/C5H5ClF2N2O/c1-2(6)4-9-10-5(11-4)3(7)8/h2-3H,1H3
InChIKey
QCJFYINTZDFIFM-UHFFFAOYSA-N
Compound name
2-(1-chloroethyl)-5-(difluoromethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.00584 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01312 129.3
[M+Na]+ 204.99506 139.5
[M-H]- 180.99856 128.5
[M+NH4]+ 200.03966 147.9
[M+K]+ 220.96900 138.2
[M+H-H2O]+ 165.00310 121.5
[M+HCOO]- 227.00404 143.8
[M+CH3COO]- 241.01969 178.9
[M+Na-2H]- 202.98051 133.3
[M]+ 182.00529 130.1
[M]- 182.00639 130.1
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.