CID 155262801

1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C6H8F3NO
SMILES
C1C2COC1(CN2)C(F)(F)F
InChI
InChI=1S/C6H8F3NO/c7-6(8,9)5-1-4(2-11-5)10-3-5/h4,10H,1-3H2
InChIKey
XBRDQBXEYPZMEY-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

167.0558 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06308 129.8
[M+Na]+ 190.04502 138.3
[M-H]- 166.04852 126.9
[M+NH4]+ 185.08962 154.0
[M+K]+ 206.01896 137.1
[M+H-H2O]+ 150.05306 123.9
[M+HCOO]- 212.05400 144.0
[M+CH3COO]- 226.06965 172.0
[M+Na-2H]- 188.03047 136.3
[M]+ 167.05525 123.6
[M]- 167.05635 123.6
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

patents stripe