CID 43658623

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

Structural Information

Molecular Formula
C9H5ClF2N2O
SMILES
C1=CC(=C(C=C1C2=NOC(=N2)CCl)F)F
InChI
InChI=1S/C9H5ClF2N2O/c10-4-8-13-9(14-15-8)5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKey
VPOUDELZMHHFBV-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00584 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01312 141.5
[M+Na]+ 252.99506 153.9
[M-H]- 228.99856 144.2
[M+NH4]+ 248.03966 158.5
[M+K]+ 268.96900 149.8
[M+H-H2O]+ 213.00310 132.5
[M+HCOO]- 275.00404 158.0
[M+CH3COO]- 289.01969 155.1
[M+Na-2H]- 250.98051 146.4
[M]+ 230.00529 143.5
[M]- 230.00639 143.5
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.