CID 11498153

Cp-601927

Structural Information

Molecular Formula
C12H12F3N
SMILES
C1[C@H]2CNC[C@@H]1C3=C2C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1
InChIKey
RNOBTWYQAWEZHH-JGVFFNPUSA-N
Compound name
(1S,8R)-4-(trifluoromethyl)-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

125
Patents

227.09218 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09946 148.1
[M+Na]+ 250.08140 156.4
[M-H]- 226.08490 145.2
[M+NH4]+ 245.12600 168.8
[M+K]+ 266.05534 150.8
[M+H-H2O]+ 210.08944 140.1
[M+HCOO]- 272.09038 159.9
[M+CH3COO]- 286.10603 158.7
[M+Na-2H]- 248.06685 153.0
[M]+ 227.09163 140.5
[M]- 227.09273 140.5
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.