CID 66696136

4-(2,2-difluoropropoxy)piperidine

Structural Information

Molecular Formula
C8H15F2NO
SMILES
CC(COC1CCNCC1)(F)F
InChI
InChI=1S/C8H15F2NO/c1-8(9,10)6-12-7-2-4-11-5-3-7/h7,11H,2-6H2,1H3
InChIKey
JIRDTVWKYCUKHP-UHFFFAOYSA-N
Compound name
4-(2,2-difluoropropoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

179.11217 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.119446 139.1
[M+Na]+ 202.101388 143.8
[M-H]- 178.104894 136.2
[M+NH4]+ 197.145993 156.7
[M+K]+ 218.075328 141.9
[M+H-H2O]+ 162.109430 131.4
[M+HCOO]- 224.110371 153.2
[M+CH3COO]- 238.126021 177.2
[M+Na-2H]- 200.086836 143.7
[M]+ 179.11162142 131.5
[M]- 179.11271858 131.5
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

patents stripe