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 139.8
[M+Na]+ 234.00924 150.9
[M-H]- 210.01274 144.9
[M+NH4]+ 229.05384 158.8
[M+K]+ 249.98318 147.2
[M+H-H2O]+ 194.01728 132.6
[M+HCOO]- 256.01822 158.5
[M+CH3COO]- 270.03387 154.0
[M+Na-2H]- 231.99469 145.6
[M]+ 211.01947 142.5
[M]- 211.02057 142.5
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.