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

42
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 138.3
[M+Na]+ 246.97686 150.0
[M-H]- 222.98036 143.4
[M+NH4]+ 242.02146 157.0
[M+K]+ 262.95080 147.1
[M+H-H2O]+ 206.98490 133.8
[M+HCOO]- 268.98584 155.8
[M+CH3COO]- 283.00149 184.2
[M+Na-2H]- 244.96231 146.1
[M]+ 223.98709 143.3
[M]- 223.98819 143.3
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