CID 2813192

1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H13F2NO3
SMILES
C1CN(CCC1C(=O)O)C(=O)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C13H13F2NO3/c14-9-1-2-10(11(15)7-9)12(17)16-5-3-8(4-6-16)13(18)19/h1-2,7-8H,3-6H2,(H,18,19)
InChIKey
RZLZSAUBPWBVHK-UHFFFAOYSA-N
Compound name
1-(2,4-difluorobenzoyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.08636 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09364 157.3
[M+Na]+ 292.07558 163.6
[M-H]- 268.07908 158.3
[M+NH4]+ 287.12018 171.3
[M+K]+ 308.04952 160.1
[M+H-H2O]+ 252.08362 148.0
[M+HCOO]- 314.08456 171.7
[M+CH3COO]- 328.10021 194.7
[M+Na-2H]- 290.06103 156.8
[M]+ 269.08581 150.9
[M]- 269.08691 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.