CID 67505807

4-(1,1-difluoroethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C7H13F2N
SMILES
CC(C1CCNCC1)(F)F
InChI
InChI=1S/C7H13F2N/c1-7(8,9)6-2-4-10-5-3-6/h6,10H,2-5H2,1H3
InChIKey
RZFOEIFAXSRNDJ-UHFFFAOYSA-N
Compound name
4-(1,1-difluoroethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

149.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.108886 131.3
[M+Na]+ 172.090828 136.5
[M-H]- 148.094334 128.7
[M+NH4]+ 167.135433 150.3
[M+K]+ 188.064768 134.4
[M+H-H2O]+ 132.098870 124.1
[M+HCOO]- 194.099811 145.6
[M+CH3COO]- 208.115461 172.2
[M+Na-2H]- 170.076276 136.5
[M]+ 149.10106142 121.9
[M]- 149.10215858 121.9
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