CID 50989409

6,6-difluoro-3-azabicyclo[3.1.1]heptane hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1C2CNCC1C2(F)F
InChI
InChI=1S/C6H9F2N/c7-6(8)4-1-5(6)3-9-2-4/h4-5,9H,1-3H2
InChIKey
OPKGZZULJOUJEV-UHFFFAOYSA-N
Compound name
6,6-difluoro-3-azabicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

133.07031 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.077586 134.7
[M+Na]+ 156.059528 141.4
[M-H]- 132.063034 129.3
[M+NH4]+ 151.104133 154.4
[M+K]+ 172.033468 141.5
[M+H-H2O]+ 116.067570 124.8
[M+HCOO]- 178.068511 144.8
[M+CH3COO]- 192.084161 145.4
[M+Na-2H]- 154.044976 145.0
[M]+ 133.06976142 140.2
[M]- 133.07085858 140.2
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