CID 71743248

1060811-78-0

Structural Information

Molecular Formula

C₉H₈ClNO₂

SMILES

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

InChI

InChI=1S/C9H8ClNO2/c10-7-5-6(1-4-11-7)9(2-3-9)8(12)13/h1,4-5H,2-3H2,(H,12,13)

InChIKey

IHNOGJMTHCZPOU-UHFFFAOYSA-N

Compound name

1-(2-chloropyridin-4-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.02435 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]+	198.03163	137.9
[M+Na]+	220.01357	148.8
[M-H]-	196.01707	143.2
[M+NH4]+	215.05817	153.1
[M+K]+	235.98751	144.9
[M+H-H2O]+	180.02161	132.7
[M+HCOO]-	242.02255	155.2
[M+CH3COO]-	256.03820	181.8
[M+Na-2H]-	217.99902	144.7
[M]+	197.02380	141.7
[M]-	197.02490	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe