CID 118989110

1454909-15-9

Structural Information

Molecular Formula
C6H8F3NO
SMILES
C1C2(CN1)COC2C(F)(F)F
InChI
InChI=1S/C6H8F3NO/c7-6(8,9)4-5(3-11-4)1-10-2-5/h4,10H,1-3H2
InChIKey
OHZFVMDDSQGUBE-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-2-oxa-6-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0558 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.063076 124.1
[M+Na]+ 190.045018 129.7
[M-H]- 166.048524 124.4
[M+NH4]+ 185.089623 130.6
[M+K]+ 206.018958 134.3
[M+H-H2O]+ 150.053060 109.4
[M+HCOO]- 212.054001 136.2
[M+CH3COO]- 226.069651 186.5
[M+Na-2H]- 188.030466 131.4
[M]+ 167.05525142 134.3
[M]- 167.05634858 134.3
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.