CID 22934736

7-chloro-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₇ClO₃

SMILES

C1C(=CC2=C(O1)C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C10H7ClO3/c11-8-2-1-6-3-7(10(12)13)5-14-9(6)4-8/h1-4H,5H2,(H,12,13)

InChIKey

CDXVFVDHMXXSFA-UHFFFAOYSA-N

Compound name

7-chloro-2H-chromene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 210.00838 Da
Monoisotopic Mass: 2.1
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]+	211.01566	138.4
[M+Na]+	232.99760	153.0
[M+NH4]+	228.04220	147.5
[M+K]+	248.97154	146.8
[M-H]-	209.00110	141.8
[M+Na-2H]-	230.98305	144.5
[M]+	210.00783	141.7
[M]-	210.00893	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe