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

2
Patents

245.06636 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.073636 149.2
[M+Na]+ 268.055578 157.3
[M-H]- 244.059084 150.0
[M+NH4]+ 263.100183 164.9
[M+K]+ 284.029518 154.2
[M+H-H2O]+ 228.063620 140.3
[M+HCOO]- 290.064561 164.6
[M+CH3COO]- 304.080211 187.1
[M+Na-2H]- 266.041026 152.3
[M]+ 245.06581142 143.3
[M]- 245.06690858 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