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]+ 180.11945 139.1
[M+Na]+ 202.10139 143.8
[M-H]- 178.10489 136.2
[M+NH4]+ 197.14599 156.7
[M+K]+ 218.07533 141.9
[M+H-H2O]+ 162.10943 131.4
[M+HCOO]- 224.11037 153.2
[M+CH3COO]- 238.12602 177.2
[M+Na-2H]- 200.08684 143.7
[M]+ 179.11162 131.5
[M]- 179.11272 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