CID 114370

63867-63-0

Structural Information

Molecular Formula
C7H9F6N
SMILES
C1CNCCC1(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H9F6N/c8-6(9,10)5(7(11,12)13)1-3-14-4-2-5/h14H,1-4H2
InChIKey
IMJJCNBFFHZZEE-UHFFFAOYSA-N
Compound name
4,4-bis(trifluoromethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06392 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07120 142.5
[M+Na]+ 244.05314 149.5
[M-H]- 220.05664 135.2
[M+NH4]+ 239.09774 160.4
[M+K]+ 260.02708 146.4
[M+H-H2O]+ 204.06118 132.9
[M+HCOO]- 266.06212 151.0
[M+CH3COO]- 280.07777 182.6
[M+Na-2H]- 242.03859 147.1
[M]+ 221.06337 127.6
[M]- 221.06447 127.6
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.