CID 132353700

2138534-69-5

Structural Information

Molecular Formula
C6H5F2NO2
SMILES
CC(=O)C1=NOC(=C1)C(F)F
InChI
InChI=1S/C6H5F2NO2/c1-3(10)4-2-5(6(7)8)11-9-4/h2,6H,1H3
InChIKey
IVLCVYNOIRDESI-UHFFFAOYSA-N
Compound name
1-[5-(difluoromethyl)-1,2-oxazol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.02884 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03612 126.4
[M+Na]+ 184.01806 135.8
[M-H]- 160.02156 127.3
[M+NH4]+ 179.06266 146.3
[M+K]+ 199.99200 136.2
[M+H-H2O]+ 144.02610 119.1
[M+HCOO]- 206.02704 147.1
[M+CH3COO]- 220.04269 176.4
[M+Na-2H]- 182.00351 130.6
[M]+ 161.02829 126.0
[M]- 161.02939 126.0
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

No patent data available for this compound.