CID 120562

Indene-3-ethylamine, 2-(p-fluorophenyl)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C19H20FN
SMILES
CN(C)CCC1=C(CC2=CC=CC=C21)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H20FN/c1-21(2)12-11-18-17-6-4-3-5-15(17)13-19(18)14-7-9-16(20)10-8-14/h3-10H,11-13H2,1-2H3
InChIKey
PLQXBWYIHOSHPF-UHFFFAOYSA-N
Compound name
2-[2-(4-fluorophenyl)-3H-inden-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.158 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16528 166.6
[M+Na]+ 304.14722 174.5
[M-H]- 280.15072 174.4
[M+NH4]+ 299.19182 186.0
[M+K]+ 320.12116 169.6
[M+H-H2O]+ 264.15526 158.0
[M+HCOO]- 326.15620 190.3
[M+CH3COO]- 340.17185 208.8
[M+Na-2H]- 302.13267 169.2
[M]+ 281.15745 167.6
[M]- 281.15855 167.6
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.