CID 137964801

7,7-difluoro-2-azaspiro[3.5]nonane

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1CC(CCC12CNC2)(F)F
InChI
InChI=1S/C8H13F2N/c9-8(10)3-1-7(2-4-8)5-11-6-7/h11H,1-6H2
InChIKey
HXRPCKQVSFMUBN-UHFFFAOYSA-N
Compound name
7,7-difluoro-2-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

161.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10889 133.6
[M+Na]+ 184.09083 139.3
[M-H]- 160.09433 133.8
[M+NH4]+ 179.13543 149.9
[M+K]+ 200.06477 139.4
[M+H-H2O]+ 144.09887 122.6
[M+HCOO]- 206.09981 147.7
[M+CH3COO]- 220.11546 176.4
[M+Na-2H]- 182.07628 139.7
[M]+ 161.10106 132.6
[M]- 161.10216 132.6
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