CID 122151953

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

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1C2CC1(NC2)C(F)F
InChI
InChI=1S/C6H9F2N/c7-5(8)6-1-4(2-6)3-9-6/h4-5,9H,1-3H2
InChIKey
LYEBDOQCTRDNIO-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.07031 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.077586 133.5
[M+Na]+ 156.059528 140.2
[M-H]- 132.063034 130.0
[M+NH4]+ 151.104133 155.8
[M+K]+ 172.033468 140.5
[M+H-H2O]+ 116.067570 124.9
[M+HCOO]- 178.068511 147.2
[M+CH3COO]- 192.084161 145.2
[M+Na-2H]- 154.044976 139.5
[M]+ 133.06976142 140.5
[M]- 133.07085858 140.5
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.