CID 54679235

6087-63-4

Structural Information

Molecular Formula
C10H5ClO5
SMILES
C1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C(=O)O)O
InChI
InChI=1S/C10H5ClO5/c11-4-1-2-6-5(3-4)8(12)7(9(13)14)10(15)16-6/h1-3,12H,(H,13,14)
InChIKey
LRQNIHYKHQPUSG-UHFFFAOYSA-N
Compound name
6-chloro-4-hydroxy-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

239.98254 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98982 141.0
[M+Na]+ 262.97176 153.1
[M-H]- 238.97526 145.1
[M+NH4]+ 258.01636 158.6
[M+K]+ 278.94570 150.0
[M+H-H2O]+ 222.97980 136.9
[M+HCOO]- 284.98074 157.2
[M+CH3COO]- 298.99639 185.4
[M+Na-2H]- 260.95721 147.8
[M]+ 239.98199 146.2
[M]- 239.98309 146.2
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