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

11
Patents

151.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.068156 126.1
[M+Na]+ 174.050098 136.4
[M-H]- 150.053604 125.1
[M+NH4]+ 169.094703 144.9
[M+K]+ 190.024038 133.2
[M+H-H2O]+ 134.058140 119.2
[M+HCOO]- 196.059081 141.7
[M+CH3COO]- 210.074731 174.5
[M+Na-2H]- 172.035546 133.0
[M]+ 151.06033142 121.7
[M]- 151.06142858 121.7
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