CID 65988659

2059911-46-3

Structural Information

Molecular Formula

C₁₁H₁₁ClO₃

SMILES

C1C(CC1(C2=CC=CC=C2Cl)C(=O)O)O

InChI

InChI=1S/C11H11ClO3/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(13)6-11/h1-4,7,13H,5-6H2,(H,14,15)

InChIKey

QEDCCVVLNOZENL-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.03967 Da
Monoisotopic Mass: 1.7
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]+	227.046946	142.3
[M+Na]+	249.028888	150.0
[M-H]-	225.032394	146.7
[M+NH4]+	244.073493	155.7
[M+K]+	265.002828	148.5
[M+H-H2O]+	209.036930	133.7
[M+HCOO]-	271.037871	157.1
[M+CH3COO]-	285.053521	185.5
[M+Na-2H]-	247.014336	146.6
[M]+	226.03912142	151.2
[M]-	226.04021858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe