CID 44176358

(1s,4r,9s)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine

Structural Information

Molecular Formula
C12H12F3N
SMILES
C1C[C@H]2[C@H]([C@@H]1C3=C2C(=CC=C3)C(F)(F)F)N
InChI
InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-6-7-4-5-8(10(6)9)11(7)16/h1-3,7-8,11H,4-5,16H2/t7-,8+,11-/m0/s1
InChIKey
HHIJEPNAHYLKPE-RNSXUZJQSA-N
Compound name
(1R,8S,11S)-3-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.09218 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09946 148.1
[M+Na]+ 250.08140 155.2
[M+NH4]+ 245.12600 155.7
[M+K]+ 266.05534 153.0
[M-H]- 226.08490 145.4
[M+Na-2H]- 248.06685 148.6
[M]+ 227.09163 148.0
[M]- 227.09273 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe