CID 99979318

1258638-03-7

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
C1CNCCC1C(C(=O)O)(F)F
InChI
InChI=1S/C7H11F2NO2/c8-7(9,6(11)12)5-1-3-10-4-2-5/h5,10H,1-4H2,(H,11,12)
InChIKey
BTPDZFIFJJXMEH-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-piperidin-4-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07579 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.083066 136.5
[M+Na]+ 202.065008 141.3
[M-H]- 178.068514 132.5
[M+NH4]+ 197.109613 153.3
[M+K]+ 218.038948 139.1
[M+H-H2O]+ 162.073050 129.4
[M+HCOO]- 224.073991 149.0
[M+CH3COO]- 238.089641 173.6
[M+Na-2H]- 200.050456 140.1
[M]+ 179.07524142 126.8
[M]- 179.07633858 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.