CID 48702

10-trifluoromethylaporphine

Structural Information

Molecular Formula
C18H16F3N
SMILES
CN1CCC2=C3[C@@H]1CC4=C(C3=CC=C2)C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C18H16F3N/c1-22-8-7-11-3-2-4-14-15-10-13(18(19,20)21)6-5-12(15)9-16(22)17(11)14/h2-6,10,16H,7-9H2,1H3/t16-/m0/s1
InChIKey
JPSPHFCMQCLUMY-INIZCTEOSA-N
Compound name
(6aS)-6-methyl-10-(trifluoromethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12347 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13075 171.3
[M+Na]+ 326.11269 180.0
[M-H]- 302.11619 171.0
[M+NH4]+ 321.15729 188.4
[M+K]+ 342.08663 173.0
[M+H-H2O]+ 286.12073 160.2
[M+HCOO]- 348.12167 181.4
[M+CH3COO]- 362.13732 180.6
[M+Na-2H]- 324.09814 176.7
[M]+ 303.12292 165.9
[M]- 303.12402 165.9
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.