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

22
Patents

139.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.068156 123.9
[M+Na]+ 162.050098 131.4
[M-H]- 138.053604 120.7
[M+NH4]+ 157.094703 145.4
[M+K]+ 178.024038 129.3
[M+H-H2O]+ 122.058140 116.4
[M+HCOO]- 184.059081 139.4
[M+CH3COO]- 198.074731 169.3
[M+Na-2H]- 160.035546 129.3
[M]+ 139.06033142 113.7
[M]- 139.06142858 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