CID 12456529

63106-91-2

Structural Information

Molecular Formula

C₁₁H₁₁ClO₃

SMILES

C1C(C1(C2=CC(=CC=C2)Cl)C(=O)O)CO

InChI

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

InChIKey

CSOCFUHEHDXTOY-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 226.03967 Da
Monoisotopic Mass: 1.6
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	140.8
[M+Na]+	249.028888	151.4
[M-H]-	225.032394	146.3
[M+NH4]+	244.073493	155.9
[M+K]+	265.002828	146.8
[M+H-H2O]+	209.036930	137.1
[M+HCOO]-	271.037871	157.5
[M+CH3COO]-	285.053521	185.7
[M+Na-2H]-	247.014336	146.1
[M]+	226.03912142	145.2
[M]-	226.04021858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe