CID 207131

Brn 1161355

Structural Information

Molecular Formula
C12H11F3N2O4
SMILES
C1C(OC(=O)N1C2=CC=CC(=C2)C(F)(F)F)COC(=O)N
InChI
InChI=1S/C12H11F3N2O4/c13-12(14,15)7-2-1-3-8(4-7)17-5-9(21-11(17)19)6-20-10(16)18/h1-4,9H,5-6H2,(H2,16,18)
InChIKey
JYSSCCVCVRQRKZ-UHFFFAOYSA-N
Compound name
[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.06708 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07436 162.5
[M+Na]+ 327.05630 170.4
[M-H]- 303.05980 164.6
[M+NH4]+ 322.10090 176.0
[M+K]+ 343.03024 168.7
[M+H-H2O]+ 287.06434 153.0
[M+HCOO]- 349.06528 179.1
[M+CH3COO]- 363.08093 202.0
[M+Na-2H]- 325.04175 163.6
[M]+ 304.06653 159.1
[M]- 304.06763 159.1
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