CID 177747102

9,9-difluoro-1,2,6-triazaspiro[2.6]non-1-ene hydrochloride

Structural Information

Molecular Formula
C6H9F2N3
SMILES
C1CNCCC(C12N=N2)(F)F
InChI
InChI=1S/C6H9F2N3/c7-5(8)1-3-9-4-2-6(5)10-11-6/h9H,1-4H2
InChIKey
UFLAZPXQNPPTOR-UHFFFAOYSA-N
Compound name
4,4-difluoro-1,2,7-triazaspiro[2.6]non-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.07645 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.083726 128.5
[M+Na]+ 184.065668 136.8
[M-H]- 160.069174 128.4
[M+NH4]+ 179.110273 142.4
[M+K]+ 200.039608 137.7
[M+H-H2O]+ 144.073710 118.7
[M+HCOO]- 206.074651 143.2
[M+CH3COO]- 220.090301 139.2
[M+Na-2H]- 182.051116 136.6
[M]+ 161.07590142 121.7
[M]- 161.07699858 121.7
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.