CID 16228261

6-chloro-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-7-carboxylic acid

Structural Information

Molecular Formula
C9H6ClNO4
SMILES
C1C(=O)NC2=C(O1)C=C(C(=C2)Cl)C(=O)O
InChI
InChI=1S/C9H6ClNO4/c10-5-2-6-7(1-4(5)9(13)14)15-3-8(12)11-6/h1-2H,3H2,(H,11,12)(H,13,14)
InChIKey
OTIAZAMJOQYITN-UHFFFAOYSA-N
Compound name
6-chloro-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99854 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00582 141.5
[M+Na]+ 249.98776 151.1
[M-H]- 225.99126 143.0
[M+NH4]+ 245.03236 157.7
[M+K]+ 265.96170 147.7
[M+H-H2O]+ 209.99580 136.5
[M+HCOO]- 271.99674 153.5
[M+CH3COO]- 286.01239 182.2
[M+Na-2H]- 247.97321 147.3
[M]+ 226.99799 141.9
[M]- 226.99909 141.9
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.