CID 84762556

3,4,4-trifluoropiperidine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CNCC(C1(F)F)F
InChI
InChI=1S/C5H8F3N/c6-4-3-9-2-1-5(4,7)8/h4,9H,1-3H2
InChIKey
GDZUZMSGANWHFA-UHFFFAOYSA-N
Compound name
3,4,4-trifluoropiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

139.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 123.9
[M+Na]+ 162.05010 131.4
[M-H]- 138.05360 120.7
[M+NH4]+ 157.09470 145.4
[M+K]+ 178.02404 129.3
[M+H-H2O]+ 122.05814 116.4
[M+HCOO]- 184.05908 139.4
[M+CH3COO]- 198.07473 169.3
[M+Na-2H]- 160.03555 129.3
[M]+ 139.06033 113.7
[M]- 139.06143 113.7
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