CID 10036439

3,5-bis(trifluoromethyl)piperidine

Structural Information

Molecular Formula
C7H9F6N
SMILES
C1C(CNCC1C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H9F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h4-5,14H,1-3H2
InChIKey
WNSWTDWANMVMDB-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

221.06392 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07120 142.6
[M+Na]+ 244.05314 149.5
[M-H]- 220.05664 135.2
[M+NH4]+ 239.09774 158.7
[M+K]+ 260.02708 146.1
[M+H-H2O]+ 204.06118 132.3
[M+HCOO]- 266.06212 150.9
[M+CH3COO]- 280.07777 184.1
[M+Na-2H]- 242.03859 145.3
[M]+ 221.06337 127.7
[M]- 221.06447 127.7
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