CID 207928

2-(trifluoromethyl)-1,3-oxazinane

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1CNC(OC1)C(F)(F)F
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)4-9-2-1-3-10-4/h4,9H,1-3H2
InChIKey
UTELQXWOCKXWAR-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.0558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 128.0
[M+Na]+ 178.045018 134.2
[M-H]- 154.048524 124.9
[M+NH4]+ 173.089623 145.3
[M+K]+ 194.018958 133.5
[M+H-H2O]+ 138.053060 119.9
[M+HCOO]- 200.054001 141.2
[M+CH3COO]- 214.069651 170.2
[M+Na-2H]- 176.030466 134.5
[M]+ 155.05525142 118.5
[M]- 155.05634858 118.5
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.