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

5
Patents

230.00584 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.013116 141.5
[M+Na]+ 252.995058 153.9
[M-H]- 228.998564 144.2
[M+NH4]+ 248.039663 158.5
[M+K]+ 268.968998 149.8
[M+H-H2O]+ 213.003100 132.5
[M+HCOO]- 275.004041 158.0
[M+CH3COO]- 289.019691 155.1
[M+Na-2H]- 250.980506 146.4
[M]+ 230.00529142 143.5
[M]- 230.00638858 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

patents stripe