CID 138040488

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

Structural Information

Molecular Formula
C7H12F2N2O
SMILES
C1CCNC(=O)C(CNC1)(F)F
InChI
InChI=1S/C7H12F2N2O/c8-7(9)5-10-3-1-2-4-11-6(7)12/h10H,1-5H2,(H,11,12)
InChIKey
HZECWULONMODHS-UHFFFAOYSA-N
Compound name
3,3-difluoro-1,5-diazonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09177 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09905 188.1
[M+Na]+ 201.08099 191.2
[M-H]- 177.08449 188.6
[M+NH4]+ 196.12559 188.8
[M+K]+ 217.05493 188.6
[M+H-H2O]+ 161.08903 180.4
[M+HCOO]- 223.08997 189.6
[M+CH3COO]- 237.10562 190.4
[M+Na-2H]- 199.06644 191.6
[M]+ 178.09122 189.1
[M]- 178.09232 189.1
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.