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]+ 168.06308 124.1
[M+Na]+ 190.04502 129.7
[M-H]- 166.04852 124.4
[M+NH4]+ 185.08962 130.6
[M+K]+ 206.01896 134.3
[M+H-H2O]+ 150.05306 109.4
[M+HCOO]- 212.05400 136.2
[M+CH3COO]- 226.06965 186.5
[M+Na-2H]- 188.03047 131.4
[M]+ 167.05525 134.3
[M]- 167.05635 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.