CID 477124

6-chloro-4-[2-(2-oxooxazolidin-5-yl)ethyl]-4-(trifluoromethyl)-1h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C14H12ClF3N2O4
SMILES
C1C(OC(=O)N1)CCC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
InChI
InChI=1S/C14H12ClF3N2O4/c15-7-1-2-10-9(5-7)13(14(16,17)18,24-12(22)20-10)4-3-8-6-19-11(21)23-8/h1-2,5,8H,3-4,6H2,(H,19,21)(H,20,22)
InChIKey
GWCCAORZISHMAI-UHFFFAOYSA-N
Compound name
6-chloro-4-[2-(2-oxo-1,3-oxazolidin-5-yl)ethyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.04376 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05104 177.0
[M+Na]+ 387.03298 186.4
[M-H]- 363.03648 176.7
[M+NH4]+ 382.07758 188.5
[M+K]+ 403.00692 181.6
[M+H-H2O]+ 347.04102 168.4
[M+HCOO]- 409.04196 180.4
[M+CH3COO]- 423.05761 204.7
[M+Na-2H]- 385.01843 179.2
[M]+ 364.04321 173.2
[M]- 364.04431 173.2
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

No patent data available for this compound.