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]+ 166.083816 133.1
[M+Na]+ 188.065758 138.8
[M-H]- 164.069264 129.2
[M+NH4]+ 183.110363 151.4
[M+K]+ 204.039698 135.7
[M+H-H2O]+ 148.073800 125.0
[M+HCOO]- 210.074741 146.6
[M+CH3COO]- 224.090391 172.8
[M+Na-2H]- 186.051206 137.7
[M]+ 165.07599142 121.6
[M]- 165.07708858 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.