CID 237412

90940-40-2

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

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

InChI

InChI=1S/C10H9ClO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)

InChIKey

JZYXJKBNUJJIKU-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 189
Patents: 196.02911 Da
Monoisotopic Mass: 2.3
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]+	197.036386	133.7
[M+Na]+	219.018328	144.4
[M-H]-	195.021834	140.3
[M+NH4]+	214.062933	148.7
[M+K]+	234.992268	139.6
[M+H-H2O]+	179.026370	128.7
[M+HCOO]-	241.027311	152.2
[M+CH3COO]-	255.042961	183.7
[M+Na-2H]-	217.003776	138.7
[M]+	196.02856142	137.5
[M]-	196.02965858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe