CID 1211402

7-chloro-4-oxo-4h-chromene-2-carboxylic acid

Structural Information

Molecular Formula
C10H5ClO4
SMILES
C1=CC2=C(C=C1Cl)OC(=CC2=O)C(=O)O
InChI
InChI=1S/C10H5ClO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4H,(H,13,14)
InChIKey
QTAXIAZVGOANTN-UHFFFAOYSA-N
Compound name
7-chloro-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

223.98764 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99492 139.2
[M+Na]+ 246.97686 154.7
[M+NH4]+ 242.02146 147.6
[M+K]+ 262.95080 148.9
[M-H]- 222.98036 142.2
[M+Na-2H]- 244.96231 145.5
[M]+ 223.98709 142.6
[M]- 223.98819 142.6
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