CID 177747102

Ebc-6724078

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]+ 162.08373 128.5
[M+Na]+ 184.06567 136.8
[M-H]- 160.06917 128.4
[M+NH4]+ 179.11027 142.4
[M+K]+ 200.03961 137.7
[M+H-H2O]+ 144.07371 118.7
[M+HCOO]- 206.07465 143.2
[M+CH3COO]- 220.09030 139.2
[M+Na-2H]- 182.05112 136.6
[M]+ 161.07590 121.7
[M]- 161.07700 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.