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

1
Annotation Hits: 0
References: 769
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]+	224.07175	151.1
[M+Na]+	246.05369	161.8
[M+NH4]+	241.09829	159.2
[M+K]+	262.02763	157.2
[M-H]-	222.05719	158.5
[M+Na-2H]-	244.03914	160.0
[M]+	223.06392	155.6
[M]-	223.06502	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe