CID 92599

56961-90-1

Structural Information

Molecular Formula

C₁₁H₇ClO₃

SMILES

C1=CC=C2C(=C1)C=C(C(=C2Cl)O)C(=O)O

InChI

InChI=1S/C11H7ClO3/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5,13H,(H,14,15)

InChIKey

FGPKSIXNTNDIJT-UHFFFAOYSA-N

Compound name

4-chloro-3-hydroxynaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 222.00838 Da
Monoisotopic Mass: 3.5
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]+	223.01566	141.6
[M+Na]+	244.99760	156.4
[M+NH4]+	240.04220	150.4
[M+K]+	260.97154	149.9
[M-H]-	221.00110	143.4
[M+Na-2H]-	242.98305	148.0
[M]+	222.00783	144.5
[M]-	222.00893	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe