CID 12459374

70276-69-6

Structural Information

Molecular Formula
C10H5F4NO
SMILES
C1=CC=C(C=C1)C2=NC(=C(O2)F)C(F)(F)F
InChI
InChI=1S/C10H5F4NO/c11-8-7(10(12,13)14)15-9(16-8)6-4-2-1-3-5-6/h1-5H
InChIKey
PWMKGRHSCBQLQG-UHFFFAOYSA-N
Compound name
5-fluoro-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

231.03073 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03801 141.3
[M+Na]+ 254.01995 152.3
[M-H]- 230.02345 143.1
[M+NH4]+ 249.06455 158.6
[M+K]+ 269.99389 149.6
[M+H-H2O]+ 214.02799 131.5
[M+HCOO]- 276.02893 160.0
[M+CH3COO]- 290.04458 187.6
[M+Na-2H]- 252.00540 146.7
[M]+ 231.03018 138.0
[M]- 231.03128 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe