CID 82606866

8-fluoro-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid

Structural Information

Molecular Formula
C9H8FNO3
SMILES
C1COC2=C(N1)C=C(C=C2F)C(=O)O
InChI
InChI=1S/C9H8FNO3/c10-6-3-5(9(12)13)4-7-8(6)14-2-1-11-7/h3-4,11H,1-2H2,(H,12,13)
InChIKey
VIPOSIHLIQHYKY-UHFFFAOYSA-N
Compound name
8-fluoro-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.04883 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.056106 137.7
[M+Na]+ 220.038048 145.6
[M-H]- 196.041554 137.6
[M+NH4]+ 215.082653 154.1
[M+K]+ 236.011988 143.4
[M+H-H2O]+ 180.046090 130.7
[M+HCOO]- 242.047031 152.8
[M+CH3COO]- 256.062681 178.3
[M+Na-2H]- 218.023496 143.9
[M]+ 197.04828142 133.7
[M]- 197.04937858 133.7
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.