CID 78265169

Alpha-2'-fluoro-2,5,9-trimethyl-6,7-benzomorphan hydrochloride

Structural Information

Molecular Formula
C15H20FN
SMILES
CC1[C@@H]2CC3=C([C@]1(CCN2C)C)C=C(C=C3)F
InChI
InChI=1S/C15H20FN/c1-10-14-8-11-4-5-12(16)9-13(11)15(10,2)6-7-17(14)3/h4-5,9-10,14H,6-8H2,1-3H3/t10?,14-,15-/m0/s1
InChIKey
PYEHRUAXABWJJD-YSYSQYOCSA-N
Compound name
(1S,9S)-4-fluoro-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15797 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16525 154.1
[M+Na]+ 256.14719 162.8
[M-H]- 232.15069 155.2
[M+NH4]+ 251.19179 176.0
[M+K]+ 272.12113 158.0
[M+H-H2O]+ 216.15523 146.3
[M+HCOO]- 278.15617 167.8
[M+CH3COO]- 292.17182 165.5
[M+Na-2H]- 254.13264 159.6
[M]+ 233.15742 150.8
[M]- 233.15852 150.8
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.