CID 127014244

4,4-difluoro-1-(prop-2-yn-1-yl)piperidine

Structural Information

Molecular Formula
C8H11F2N
SMILES
C#CCN1CCC(CC1)(F)F
InChI
InChI=1S/C8H11F2N/c1-2-5-11-6-3-8(9,10)4-7-11/h1H,3-7H2
InChIKey
JZKUJBKFVLNMRV-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-prop-2-ynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08595 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09323 125.5
[M+Na]+ 182.07517 134.9
[M-H]- 158.07867 123.8
[M+NH4]+ 177.11977 144.6
[M+K]+ 198.04911 131.0
[M+H-H2O]+ 142.08321 112.6
[M+HCOO]- 204.08415 137.8
[M+CH3COO]- 218.09980 185.3
[M+Na-2H]- 180.06062 130.3
[M]+ 159.08540 114.4
[M]- 159.08650 114.4
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.