CID 72207640

6,6-difluoro-1-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1CNC12CC(C2)(F)F
InChI
InChI=1S/C6H9F2N/c7-6(8)3-5(4-6)1-2-9-5/h9H,1-4H2
InChIKey
HIWIUZIUJJUMNR-UHFFFAOYSA-N
Compound name
6,6-difluoro-1-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

133.07031 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.077586 122.8
[M+Na]+ 156.059528 129.1
[M-H]- 132.063034 124.1
[M+NH4]+ 151.104133 133.5
[M+K]+ 172.033468 132.1
[M+H-H2O]+ 116.067570 110.0
[M+HCOO]- 178.068511 137.9
[M+CH3COO]- 192.084161 182.5
[M+Na-2H]- 154.044976 129.8
[M]+ 133.06976142 133.2
[M]- 133.07085858 133.2
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