CID 16227214

2-(chloromethyl)-5-(4-fluorophenyl)-1,3-oxazole

Structural Information

Molecular Formula
C10H7ClFNO
SMILES
C1=CC(=CC=C1C2=CN=C(O2)CCl)F
InChI
InChI=1S/C10H7ClFNO/c11-5-10-13-6-9(14-10)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
MZRZFKJAXITFSB-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(4-fluorophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.02002 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.02730 141.0
[M+Na]+ 234.00924 155.9
[M+NH4]+ 229.05384 149.9
[M+K]+ 249.98318 150.0
[M-H]- 210.01274 144.7
[M+Na-2H]- 231.99469 149.2
[M]+ 211.01947 144.5
[M]- 211.02057 144.5
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.