CID 167724441

3-(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-3,3-difluoropropanoic acid

Structural Information

Molecular Formula

C₂₃H₂₃F₂NO₄

SMILES

C1CN(CCC1C(CC(=O)O)(F)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C23H23F2NO4/c24-23(25,13-21(27)28)15-9-11-26(12-10-15)22(29)30-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,27,28)

InChIKey

LDQAGAKJJAXHRN-UHFFFAOYSA-N

Compound name

3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-3,3-difluoropropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 415.15952 Da
Monoisotopic Mass: 4.2
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]+	416.166796	198.3
[M+Na]+	438.148738	202.5
[M-H]-	414.152244	200.2
[M+NH4]+	433.193343	209.6
[M+K]+	454.122678	197.2
[M+H-H2O]+	398.156780	188.3
[M+HCOO]-	460.157721	207.8
[M+CH3COO]-	474.173371	221.8
[M+Na-2H]-	436.134186	197.1
[M]+	415.15897142	194.5
[M]-	415.16006858	194.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.