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]+ 151.06775 127.1
[M+Na]+ 173.04969 135.9
[M-H]- 149.05319 124.2
[M+NH4]+ 168.09429 147.1
[M+K]+ 189.02363 133.9
[M+H-H2O]+ 133.05773 119.9
[M+HCOO]- 195.05867 142.8
[M+CH3COO]- 209.07432 171.5
[M+Na-2H]- 171.03514 132.5
[M]+ 150.05992 119.9
[M]- 150.06102 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.