CID 21478216

4-(trifluoromethyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C4H4F3NO2
SMILES
C1C(NC(=O)O1)C(F)(F)F
InChI
InChI=1S/C4H4F3NO2/c5-4(6,7)2-1-10-3(9)8-2/h2H,1H2,(H,8,9)
InChIKey
AOOOOLXZRHYHCP-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

155.01941 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.026686 123.8
[M+Na]+ 178.008628 132.4
[M-H]- 154.012134 121.5
[M+NH4]+ 173.053233 143.1
[M+K]+ 193.982568 131.9
[M+H-H2O]+ 138.016670 116.6
[M+HCOO]- 200.017611 139.9
[M+CH3COO]- 214.033261 169.2
[M+Na-2H]- 175.994076 129.1
[M]+ 155.01886142 117.2
[M]- 155.01995858 117.2
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