CID 122235944

1-(trifluoromethyl)-2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula
C6H8F3N
SMILES
C1C2CC1(NC2)C(F)(F)F
InChI
InChI=1S/C6H8F3N/c7-6(8,9)5-1-4(2-5)3-10-5/h4,10H,1-3H2
InChIKey
GNFBNFXKMACPCP-UHFFFAOYSA-N
Compound name
1-(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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06816 137.1
[M+Na]+ 174.05010 144.6
[M-H]- 150.05360 132.5
[M+NH4]+ 169.09470 159.0
[M+K]+ 190.02404 144.5
[M+H-H2O]+ 134.05814 128.4
[M+HCOO]- 196.05908 149.4
[M+CH3COO]- 210.07473 177.2
[M+Na-2H]- 172.03555 144.5
[M]+ 151.06033 143.1
[M]- 151.06143 143.1
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.