CID 81009113

1517603-33-6

Structural Information

Molecular Formula

C₁₁H₁₁ClO₂

SMILES

C1CC(C1C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C11H11ClO2/c12-10-4-2-1-3-8(10)7-5-6-9(7)11(13)14/h1-4,7,9H,5-6H2,(H,13,14)

InChIKey

VOKNTOGPWOSSAQ-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.04475 Da
Monoisotopic Mass: 2.8
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]+	211.05203	137.3
[M+Na]+	233.03397	144.6
[M-H]-	209.03747	142.6
[M+NH4]+	228.07857	150.0
[M+K]+	249.00791	143.4
[M+H-H2O]+	193.04201	127.4
[M+HCOO]-	255.04295	153.3
[M+CH3COO]-	269.05860	186.3
[M+Na-2H]-	231.01942	141.0
[M]+	210.04420	146.2
[M]-	210.04530	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe