CID 61709355

4-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole

Structural Information

Molecular Formula
C11H6ClF4NO
SMILES
C1=CC(=C(C=C1C2=NC(=CO2)CCl)C(F)(F)F)F
InChI
InChI=1S/C11H6ClF4NO/c12-4-7-5-18-10(17-7)6-1-2-9(13)8(3-6)11(14,15)16/h1-3,5H,4H2
InChIKey
NSPUKWCUHUDQPL-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.00742 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.01470 152.2
[M+Na]+ 301.99664 164.4
[M-H]- 278.00014 153.9
[M+NH4]+ 297.04124 168.7
[M+K]+ 317.97058 159.5
[M+H-H2O]+ 262.00468 142.7
[M+HCOO]- 324.00562 165.8
[M+CH3COO]- 338.02127 195.4
[M+Na-2H]- 299.98209 155.9
[M]+ 279.00687 151.7
[M]- 279.00797 151.7
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.