CID 3159680

306298-00-0

Structural Information

Molecular Formula

C₁₀H₉FO₂

SMILES

C1CC1(C2=CC=CC=C2F)C(=O)O

InChI

InChI=1S/C10H9FO2/c11-8-4-2-1-3-7(8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)

InChIKey

MVQOOJNHXHBCGK-UHFFFAOYSA-N

Compound name

1-(2-fluorophenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 180.05865 Da
Monoisotopic Mass: 1.8
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]+	181.06593	142.0
[M+Na]+	203.04787	154.8
[M+NH4]+	198.09247	151.7
[M+K]+	219.02181	148.8
[M-H]-	179.05137	150.2
[M+Na-2H]-	201.03332	152.2
[M]+	180.05810	147.3
[M]-	180.05920	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe