CID 103596027

1823184-22-0

Structural Information

Molecular Formula
C13H12ClF3N2O
SMILES
C1CC2CC(=O)CC1N2C3=C(C=C(C=N3)C(F)(F)F)Cl
InChI
InChI=1S/C13H12ClF3N2O/c14-11-3-7(13(15,16)17)6-18-12(11)19-8-1-2-9(19)5-10(20)4-8/h3,6,8-9H,1-2,4-5H2
InChIKey
AEMSNEYRKJMXAR-UHFFFAOYSA-N
Compound name
8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.05902 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06630 166.3
[M+Na]+ 327.04824 176.2
[M-H]- 303.05174 165.7
[M+NH4]+ 322.09284 183.1
[M+K]+ 343.02218 169.7
[M+H-H2O]+ 287.05628 156.8
[M+HCOO]- 349.05722 173.8
[M+CH3COO]- 363.07287 201.8
[M+Na-2H]- 325.03369 167.6
[M]+ 304.05847 162.3
[M]- 304.05957 162.3
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.