CID 54594753

4,4-difluoropiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
C1CNCC(C1(F)F)C(=O)O
InChI
InChI=1S/C6H9F2NO2/c7-6(8)1-2-9-3-4(6)5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKey
KTLZLSOELJHEMZ-UHFFFAOYSA-N
Compound name
4,4-difluoropiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.06013 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 131.6
[M+Na]+ 188.04935 138.3
[M-H]- 164.05285 128.2
[M+NH4]+ 183.09395 151.2
[M+K]+ 204.02329 136.2
[M+H-H2O]+ 148.05739 125.2
[M+HCOO]- 210.05833 145.9
[M+CH3COO]- 224.07398 170.9
[M+Na-2H]- 186.03480 135.4
[M]+ 165.05958 122.7
[M]- 165.06068 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.