CID 43754542

1218402-52-8

Structural Information

Molecular Formula

C₁₁H₁₁F₂NO₂

SMILES

C1CC1NC(C2=C(C=CC=C2F)F)C(=O)O

InChI

InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)

InChIKey

LLCVJLSDVSYPMV-UHFFFAOYSA-N

Compound name

2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.07579 Da
Monoisotopic Mass: -0.4
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]+	228.083066	139.1
[M+Na]+	250.065008	147.7
[M-H]-	226.068514	143.0
[M+NH4]+	245.109613	151.5
[M+K]+	266.038948	143.6
[M+H-H2O]+	210.073050	131.0
[M+HCOO]-	272.073991	159.7
[M+CH3COO]-	286.089641	193.7
[M+Na-2H]-	248.050456	142.2
[M]+	227.07524142	138.0
[M]-	227.07633858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.