CID 47003586

7,7-difluoro-2-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1CC2C(C2(F)F)NC1
InChI
InChI=1S/C6H9F2N/c7-6(8)4-2-1-3-9-5(4)6/h4-5,9H,1-3H2
InChIKey
UPDLNRKAPHAFJQ-UHFFFAOYSA-N
Compound name
7,7-difluoro-2-azabicyclo[4.1.0]heptane
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 125.9
[M+Na]+ 156.059528 135.8
[M-H]- 132.063034 126.1
[M+NH4]+ 151.104133 143.9
[M+K]+ 172.033468 132.9
[M+H-H2O]+ 116.067570 118.9
[M+HCOO]- 178.068511 142.0
[M+CH3COO]- 192.084161 173.4
[M+Na-2H]- 154.044976 133.1
[M]+ 133.06976142 121.5
[M]- 133.07085858 121.5
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.