CID 165948494

Rac-(1r,4s,5s)-5-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula
C6H8F3N
SMILES
C1[C@H]2CN[C@@H]1[C@@H]2C(F)(F)F
InChI
InChI=1S/C6H8F3N/c7-6(8,9)5-3-1-4(5)10-2-3/h3-5,10H,1-2H2/t3-,4-,5+/m0/s1
InChIKey
QOBDBJHIPUCDSK-VAYJURFESA-N
Compound name
(1S,4R,5R)-5-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06088 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06816 135.0
[M+Na]+ 174.05010 142.4
[M-H]- 150.05360 130.5
[M+NH4]+ 169.09470 155.2
[M+K]+ 190.02404 142.7
[M+H-H2O]+ 134.05814 126.0
[M+HCOO]- 196.05908 147.3
[M+CH3COO]- 210.07473 178.7
[M+Na-2H]- 172.03555 141.0
[M]+ 151.06033 141.2
[M]- 151.06143 141.2
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.