CID 22016552

1007878-86-5

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

CN(C)C(C1=CC=CC=C1F)C(=O)O

InChI

InChI=1S/C10H12FNO2/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11/h3-6,9H,1-2H3,(H,13,14)

InChIKey

JCWUTEGWHABTTF-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-2-(2-fluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 295
Patents: 197.0852 Da
Monoisotopic Mass: -0.6
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]+	198.09248	140.8
[M+Na]+	220.07442	147.4
[M-H]-	196.07792	143.3
[M+NH4]+	215.11902	159.7
[M+K]+	236.04836	146.7
[M+H-H2O]+	180.08246	133.9
[M+HCOO]-	242.08340	162.7
[M+CH3COO]-	256.09905	188.8
[M+Na-2H]-	218.05987	143.7
[M]+	197.08465	139.9
[M]-	197.08575	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe