CID 122235944

1955505-59-5

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]+ 152.068156 137.1
[M+Na]+ 174.050098 144.6
[M-H]- 150.053604 132.5
[M+NH4]+ 169.094703 159.0
[M+K]+ 190.024038 144.5
[M+H-H2O]+ 134.058140 128.4
[M+HCOO]- 196.059081 149.4
[M+CH3COO]- 210.074731 177.2
[M+Na-2H]- 172.035546 144.5
[M]+ 151.06033142 143.1
[M]- 151.06142858 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.