CID 207928

31185-60-1

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]+ 156.06308 128.0
[M+Na]+ 178.04502 134.2
[M-H]- 154.04852 124.9
[M+NH4]+ 173.08962 145.3
[M+K]+ 194.01896 133.5
[M+H-H2O]+ 138.05306 119.9
[M+HCOO]- 200.05400 141.2
[M+CH3COO]- 214.06965 170.2
[M+Na-2H]- 176.03047 134.5
[M]+ 155.05525 118.5
[M]- 155.05635 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.