CID 47003510

1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C6H8F3N
SMILES
C1C2C1(CNC2)C(F)(F)F
InChI
InChI=1S/C6H8F3N/c7-6(8,9)5-1-4(5)2-10-3-5/h4,10H,1-3H2
InChIKey
APMFRUCEZGLPEN-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

151.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06816 137.9
[M+Na]+ 174.05010 145.0
[M+NH4]+ 169.09470 145.7
[M+K]+ 190.02404 142.2
[M-H]- 150.05360 139.7
[M+Na-2H]- 172.03555 142.6
[M]+ 151.06033 140.1
[M]- 151.06143 140.1
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

patents stripe