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
2
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 147.3
[M+Na]+ 250.08140 157.0
[M-H]- 226.08490 147.6
[M+NH4]+ 245.12600 171.8
[M+K]+ 266.05534 152.1
[M+H-H2O]+ 210.08944 141.1
[M+HCOO]- 272.09038 164.7
[M+CH3COO]- 286.10603 193.1
[M+Na-2H]- 248.06685 150.4
[M]+ 227.09163 142.2
[M]- 227.09273 142.2
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.