CID 16643040

52011-76-4

Structural Information

Molecular Formula

C₁₀H₇ClO₄

SMILES

C1C(OC2=C(C1=O)C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C10H7ClO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)

InChIKey

RJNYIXPGUIVGJT-UHFFFAOYSA-N

Compound name

6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 226.00328 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.01056	141.2
[M+Na]+	248.99250	154.8
[M+NH4]+	244.03710	149.4
[M+K]+	264.96644	149.5
[M-H]-	224.99600	143.7
[M+Na-2H]-	246.97795	145.6
[M]+	226.00273	144.0
[M]-	226.00383	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe