CID 726693

5-(4-chlorophenyl)-2-furoic acid

Structural Information

Molecular Formula

C₁₁H₇ClO₃

SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)Cl

InChI

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

InChIKey

XIPQHWUSDHTXOO-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 400
Patents: 222.00838 Da
Monoisotopic Mass: 3.1
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]+	223.01566	143.3
[M+Na]+	244.99760	157.5
[M+NH4]+	240.04220	151.9
[M+K]+	260.97154	153.3
[M-H]-	221.00110	147.6
[M+Na-2H]-	242.98305	150.7
[M]+	222.00783	146.8
[M]-	222.00893	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe