CID 71306268

2055840-65-6

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1C2CC(C1NC2)(F)F
InChI
InChI=1S/C6H9F2N/c7-6(8)2-4-1-5(6)9-3-4/h4-5,9H,1-3H2
InChIKey
MCNXKBJSQXDOCG-UHFFFAOYSA-N
Compound name
6,6-difluoro-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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 124.5
[M+Na]+ 156.059528 133.3
[M-H]- 132.063034 122.4
[M+NH4]+ 151.104133 151.5
[M+K]+ 172.033468 130.6
[M+H-H2O]+ 116.067570 118.7
[M+HCOO]- 178.068511 142.0
[M+CH3COO]- 192.084161 137.7
[M+Na-2H]- 154.044976 129.0
[M]+ 133.06976142 118.3
[M]- 133.07085858 118.3
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