CID 21873645

443955-36-0

Structural Information

Molecular Formula
C9H6FNO4
SMILES
C1C(=O)NC2=C(O1)C=C(C(=C2)C(=O)O)F
InChI
InChI=1S/C9H6FNO4/c10-5-2-7-6(1-4(5)9(13)14)11-8(12)3-15-7/h1-2H,3H2,(H,11,12)(H,13,14)
InChIKey
RWZKLTNQQDJZKY-UHFFFAOYSA-N
Compound name
7-fluoro-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

211.02809 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03537 142.4
[M+Na]+ 234.01731 153.4
[M+NH4]+ 229.06191 148.3
[M+K]+ 249.99125 149.7
[M-H]- 210.02081 141.8
[M+Na-2H]- 232.00276 144.7
[M]+ 211.02754 143.4
[M]- 211.02864 143.4
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