CID 167726778

5,5-difluoro-1-methyl-1,3-diazinan-2-one

Structural Information

Molecular Formula
C5H8F2N2O
SMILES
CN1CC(CNC1=O)(F)F
InChI
InChI=1S/C5H8F2N2O/c1-9-3-5(6,7)2-8-4(9)10/h2-3H2,1H3,(H,8,10)
InChIKey
UOFKAVDOCREBPK-UHFFFAOYSA-N
Compound name
5,5-difluoro-1-methyl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.06047 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.067746 127.1
[M+Na]+ 173.049688 135.9
[M-H]- 149.053194 124.2
[M+NH4]+ 168.094293 147.1
[M+K]+ 189.023628 133.9
[M+H-H2O]+ 133.057730 119.9
[M+HCOO]- 195.058671 142.8
[M+CH3COO]- 209.074321 171.5
[M+Na-2H]- 171.035136 132.5
[M]+ 150.05992142 119.9
[M]- 150.06101858 119.9
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.