CID 132398589

3,3-difluoro-1,5-diazocan-2-one

Structural Information

Molecular Formula
C6H10F2N2O
SMILES
C1CNCC(C(=O)NC1)(F)F
InChI
InChI=1S/C6H10F2N2O/c7-6(8)4-9-2-1-3-10-5(6)11/h9H,1-4H2,(H,10,11)
InChIKey
HJVYCRFFLXLXBA-UHFFFAOYSA-N
Compound name
3,3-difluoro-1,5-diazocan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.07613 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.083406 146.5
[M+Na]+ 187.065348 151.4
[M-H]- 163.068854 144.8
[M+NH4]+ 182.109953 154.8
[M+K]+ 203.039288 151.1
[M+H-H2O]+ 147.073390 142.2
[M+HCOO]- 209.074331 152.6
[M+CH3COO]- 223.089981 216.8
[M+Na-2H]- 185.050796 146.7
[M]+ 164.07558142 141.9
[M]- 164.07667858 141.9
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.