CID 43810291

1157554-61-4

Structural Information

Molecular Formula

C₁₀H₈Cl₂O₂

SMILES

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

InChI

InChI=1S/C10H8Cl2O2/c11-5-1-2-6(9(12)3-5)7-4-8(7)10(13)14/h1-3,7-8H,4H2,(H,13,14)

InChIKey

ZIYQYJURTQZRGY-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 229.99013 Da
Monoisotopic Mass: 2.9
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]+	230.997406	136.9
[M+Na]+	252.979348	148.5
[M-H]-	228.982854	142.9
[M+NH4]+	248.023953	151.2
[M+K]+	268.953288	142.5
[M+H-H2O]+	212.987390	132.8
[M+HCOO]-	274.988331	150.5
[M+CH3COO]-	289.003981	189.3
[M+Na-2H]-	250.964796	140.6
[M]+	229.98958142	142.1
[M]-	229.99067858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe