CID 60988238

4-(chloromethyl)-2-(2,6-difluorophenyl)-1,3-oxazole

Structural Information

Molecular Formula
C10H6ClF2NO
SMILES
C1=CC(=C(C(=C1)F)C2=NC(=CO2)CCl)F
InChI
InChI=1S/C10H6ClF2NO/c11-4-6-5-15-10(14-6)9-7(12)2-1-3-8(9)13/h1-3,5H,4H2
InChIKey
BWPZPSZETNAYRN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(2,6-difluorophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

229.0106 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.017876 141.9
[M+Na]+ 251.999818 154.0
[M-H]- 228.003324 146.1
[M+NH4]+ 247.044423 160.4
[M+K]+ 267.973758 149.8
[M+H-H2O]+ 212.007860 134.0
[M+HCOO]- 274.008801 159.6
[M+CH3COO]- 288.024451 155.9
[M+Na-2H]- 249.985266 146.5
[M]+ 229.01005142 144.0
[M]- 229.01114858 144.0
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