CID 21107

5006-45-1

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

8
References

121
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

literature stripe

Patent stripe

patents stripe