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 139.2
[M+Na]+ 234.01731 148.2
[M-H]- 210.02081 139.5
[M+NH4]+ 229.06191 155.1
[M+K]+ 249.99125 146.0
[M+H-H2O]+ 194.02535 132.3
[M+HCOO]- 256.02629 154.7
[M+CH3COO]- 270.04194 181.0
[M+Na-2H]- 232.00276 144.8
[M]+ 211.02754 136.4
[M]- 211.02864 136.4
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