CID 66157686

2839143-57-4

Structural Information

Molecular Formula
C10H11BrClN
SMILES
CC1C2=C(C=CC(=C2CCN1)Br)Cl
InChI
InChI=1S/C10H11BrClN/c1-6-10-7(4-5-13-6)8(11)2-3-9(10)12/h2-3,6,13H,4-5H2,1H3
InChIKey
FZISSRXTCZZIEG-UHFFFAOYSA-N
Compound name
5-bromo-8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.97635 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98363 146.8
[M+Na]+ 281.96557 152.0
[M+NH4]+ 277.01017 153.1
[M+K]+ 297.93951 150.1
[M-H]- 257.96907 148.1
[M+Na-2H]- 279.95102 150.0
[M]+ 258.97580 147.1
[M]- 258.97690 147.1
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.