CID 32538

(+-)-endo-n-(3-chloro-4-fluorobenzyl)-2-bornanamine hydrobromide

Structural Information

Molecular Formula
C17H23ClFN
SMILES
CC1(C2CCC1(C(C2)NCC3=CC(=C(C=C3)F)Cl)C)C
InChI
InChI=1S/C17H23ClFN/c1-16(2)12-6-7-17(16,3)15(9-12)20-10-11-4-5-14(19)13(18)8-11/h4-5,8,12,15,20H,6-7,9-10H2,1-3H3
InChIKey
JLAKVWHEXGUBSO-UHFFFAOYSA-N
Compound name
N-[(3-chloro-4-fluorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1503 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15758 169.2
[M+Na]+ 318.13952 179.0
[M-H]- 294.14302 174.3
[M+NH4]+ 313.18412 195.0
[M+K]+ 334.11346 171.8
[M+H-H2O]+ 278.14756 164.1
[M+HCOO]- 340.14850 184.8
[M+CH3COO]- 354.16415 181.3
[M+Na-2H]- 316.12497 170.3
[M]+ 295.14975 169.7
[M]- 295.15085 169.7
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.