CID 65811628

1621-29-0

Structural Information

Molecular Formula

C₁₁H₁₁ClO₂

SMILES

C1CC1(CC2=CC(=CC=C2)Cl)C(=O)O

InChI

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

InChIKey

XODDTKHUOWEVSA-UHFFFAOYSA-N

Compound name

1-[(3-chlorophenyl)methyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 210.04475 Da
Monoisotopic Mass: 2.7
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]+	211.052026	139.2
[M+Na]+	233.033968	149.3
[M-H]-	209.037474	145.7
[M+NH4]+	228.078573	155.3
[M+K]+	249.007908	145.3
[M+H-H2O]+	193.042010	134.8
[M+HCOO]-	255.042951	157.1
[M+CH3COO]-	269.058601	185.0
[M+Na-2H]-	231.019416	145.3
[M]+	210.04420142	143.4
[M]-	210.04529858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe