CID 19686

10-fluoroaporphine hydrochloride

Structural Information

Molecular Formula
C17H16FN
SMILES
CN1CCC2=C3[C@@H]1CC4=C(C3=CC=C2)C=C(C=C4)F
InChI
InChI=1S/C17H16FN/c1-19-8-7-11-3-2-4-14-15-10-13(18)6-5-12(15)9-16(19)17(11)14/h2-6,10,16H,7-9H2,1H3/t16-/m0/s1
InChIKey
YBXQZYWKHMWRAK-INIZCTEOSA-N
Compound name
(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12668 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13396 157.6
[M+Na]+ 276.11590 173.3
[M+NH4]+ 271.16050 168.6
[M+K]+ 292.08984 163.3
[M-H]- 252.11940 161.1
[M+Na-2H]- 274.10135 163.2
[M]+ 253.12613 161.1
[M]- 253.12723 161.1
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.