CID 165942499

4-(2,2,2-trifluoroethylidene)piperidine hydrochloride

Structural Information

Molecular Formula
C7H10F3N
SMILES
C1CNCCC1=CC(F)(F)F
InChI
InChI=1S/C7H10F3N/c8-7(9,10)5-6-1-3-11-4-2-6/h5,11H,1-4H2
InChIKey
LMSCZAWDNUXPDD-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethylidene)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08382 133.1
[M+Na]+ 188.06576 138.8
[M-H]- 164.06926 129.2
[M+NH4]+ 183.11036 151.4
[M+K]+ 204.03970 135.7
[M+H-H2O]+ 148.07380 125.0
[M+HCOO]- 210.07474 146.6
[M+CH3COO]- 224.09039 172.8
[M+Na-2H]- 186.05121 137.7
[M]+ 165.07599 121.6
[M]- 165.07709 121.6
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

No patent data available for this compound.