CID 167716208

En300-44832739

Structural Information

Molecular Formula
C9H12F3N
SMILES
C1C[C@H]2[C@@H]3C[C@@]3(C[C@@H]1N2)C(F)(F)F
InChI
InChI=1S/C9H12F3N/c10-9(11,12)8-3-5-1-2-7(13-5)6(8)4-8/h5-7,13H,1-4H2/t5-,6+,7+,8-/m1/s1
InChIKey
VROBLYYOSZGULB-VGRMVHKJSA-N
Compound name
(1S,2R,4S,6R)-4-(trifluoromethyl)-9-azatricyclo[4.2.1.02,4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09218 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.09946 139.9
[M+Na]+ 214.08140 149.8
[M-H]- 190.08490 137.7
[M+NH4]+ 209.12600 158.8
[M+K]+ 230.05534 144.9
[M+H-H2O]+ 174.08944 132.8
[M+HCOO]- 236.09038 150.9
[M+CH3COO]- 250.10603 150.7
[M+Na-2H]- 212.06685 146.0
[M]+ 191.09163 134.8
[M]- 191.09273 134.9
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.