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]+ 165.08341 146.5
[M+Na]+ 187.06535 151.4
[M-H]- 163.06885 144.8
[M+NH4]+ 182.10995 154.8
[M+K]+ 203.03929 151.1
[M+H-H2O]+ 147.07339 142.2
[M+HCOO]- 209.07433 152.6
[M+CH3COO]- 223.08998 216.8
[M+Na-2H]- 185.05080 146.7
[M]+ 164.07558 141.9
[M]- 164.07668 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.