CID 271643

6-chloro-2-oxo-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C10H5ClO4
SMILES
C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C(=O)O
InChI
InChI=1S/C10H5ClO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)
InChIKey
FOEGEQQPOKZIAB-UHFFFAOYSA-N
Compound name
6-chloro-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

32
Patents

223.98764 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe