CID 3046896

5-((2-(trifluoromethyl)phenyl)methyl)-2-oxazolidinone

Structural Information

Molecular Formula
C11H10F3NO2
SMILES
C1C(OC(=O)N1)CC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C11H10F3NO2/c12-11(13,14)9-4-2-1-3-7(9)5-8-6-15-10(16)17-8/h1-4,8H,5-6H2,(H,15,16)
InChIKey
BDRGRYXKTRWSCP-UHFFFAOYSA-N
Compound name
5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.06636 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07364 149.2
[M+Na]+ 268.05558 157.3
[M-H]- 244.05908 150.0
[M+NH4]+ 263.10018 164.9
[M+K]+ 284.02952 154.2
[M+H-H2O]+ 228.06362 140.3
[M+HCOO]- 290.06456 164.6
[M+CH3COO]- 304.08021 187.1
[M+Na-2H]- 266.04103 152.3
[M]+ 245.06581 143.3
[M]- 245.06691 143.3
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