CID 126816806

2044902-17-0

Structural Information

Molecular Formula
C11H15F3N2O
SMILES
C1CC2C3CNCC3C1CN2C(=O)C(F)(F)F
InChI
InChI=1S/C11H15F3N2O/c12-11(13,14)10(17)16-5-6-1-2-9(16)8-4-15-3-7(6)8/h6-9,15H,1-5H2
InChIKey
SHJBFLHVIKVCEM-UHFFFAOYSA-N
Compound name
1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11365 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12093 155.6
[M+Na]+ 271.10287 159.8
[M-H]- 247.10637 146.7
[M+NH4]+ 266.14747 175.7
[M+K]+ 287.07681 155.7
[M+H-H2O]+ 231.11091 147.6
[M+HCOO]- 293.11185 157.7
[M+CH3COO]- 307.12750 162.9
[M+Na-2H]- 269.08832 160.1
[M]+ 248.11310 148.7
[M]- 248.11420 148.7
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.