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

39
Patents

133.07031 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07759 134.7
[M+Na]+ 156.05953 141.4
[M-H]- 132.06303 129.3
[M+NH4]+ 151.10413 154.4
[M+K]+ 172.03347 141.5
[M+H-H2O]+ 116.06757 124.8
[M+HCOO]- 178.06851 144.8
[M+CH3COO]- 192.08416 145.4
[M+Na-2H]- 154.04498 145.0
[M]+ 133.06976 140.2
[M]- 133.07086 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