CID 86775562

2,2-difluoro-2-(piperidin-2-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
C1CCNC(C1)C(C(=O)O)(F)F
InChI
InChI=1S/C7H11F2NO2/c8-7(9,6(11)12)5-3-1-2-4-10-5/h5,10H,1-4H2,(H,11,12)
InChIKey
AUTLXTTWSQCYJE-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-piperidin-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07579 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08307 136.5
[M+Na]+ 202.06501 141.3
[M-H]- 178.06851 132.5
[M+NH4]+ 197.10961 153.3
[M+K]+ 218.03895 139.1
[M+H-H2O]+ 162.07305 129.4
[M+HCOO]- 224.07399 149.0
[M+CH3COO]- 238.08964 173.6
[M+Na-2H]- 200.05046 140.1
[M]+ 179.07524 126.8
[M]- 179.07634 126.8
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.