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

33
Patents

149.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10889 131.3
[M+Na]+ 172.09083 136.5
[M-H]- 148.09433 128.7
[M+NH4]+ 167.13543 150.3
[M+K]+ 188.06477 134.4
[M+H-H2O]+ 132.09887 124.1
[M+HCOO]- 194.09981 145.6
[M+CH3COO]- 208.11546 172.2
[M+Na-2H]- 170.07628 136.5
[M]+ 149.10106 121.9
[M]- 149.10216 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