CID 21081530

849217-48-7

Structural Information

Molecular Formula

C₁₁H₁₀FNO₃

SMILES

C1CC1(C(=O)NC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-9(14)11(5-6-11)10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)

InChIKey

PFMAFXYUHZDKPY-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 790
Patents: 223.06447 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]+	224.071746	142.3
[M+Na]+	246.053688	151.1
[M-H]-	222.057194	147.7
[M+NH4]+	241.098293	156.5
[M+K]+	262.027628	148.3
[M+H-H2O]+	206.061730	136.2
[M+HCOO]-	268.062671	164.0
[M+CH3COO]-	282.078321	190.1
[M+Na-2H]-	244.039136	147.5
[M]+	223.06392142	143.1
[M]-	223.06501858	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe