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

6
Patents

229.0106 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01788 141.9
[M+Na]+ 251.99982 154.0
[M-H]- 228.00332 146.1
[M+NH4]+ 247.04442 160.4
[M+K]+ 267.97376 149.8
[M+H-H2O]+ 212.00786 134.0
[M+HCOO]- 274.00880 159.6
[M+CH3COO]- 288.02445 155.9
[M+Na-2H]- 249.98527 146.5
[M]+ 229.01005 144.0
[M]- 229.01115 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