CID 67519293

5-(difluoromethyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C4H5F2NO2
SMILES
C1C(OC(=O)N1)C(F)F
InChI
InChI=1S/C4H5F2NO2/c5-3(6)2-1-7-4(8)9-2/h2-3H,1H2,(H,7,8)
InChIKey
ZLHFNVHHLCRGQJ-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

137.02884 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03612 121.7
[M+Na]+ 160.01806 129.6
[M-H]- 136.02156 120.6
[M+NH4]+ 155.06266 141.7
[M+K]+ 175.99200 129.6
[M+H-H2O]+ 120.02610 114.8
[M+HCOO]- 182.02704 139.5
[M+CH3COO]- 196.04269 167.6
[M+Na-2H]- 158.00351 125.6
[M]+ 137.02829 116.4
[M]- 137.02939 116.4
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

patents stripe