CID 54227

Brn 4539779

Structural Information

Molecular Formula
C17H12FNO4
SMILES
COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H12FNO4/c1-22-15(20)9-10-2-7-14-13(8-10)19-16(17(21)23-14)11-3-5-12(18)6-4-11/h2-8H,9H2,1H3
InChIKey
RWKOWSMSXFGAMT-UHFFFAOYSA-N
Compound name
methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.07504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08232 170.3
[M+Na]+ 336.06426 185.9
[M+NH4]+ 331.10886 176.9
[M+K]+ 352.03820 178.9
[M-H]- 312.06776 173.9
[M+Na-2H]- 334.04971 177.4
[M]+ 313.07449 173.5
[M]- 313.07559 173.5
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.