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 147.3
[M+Na]+ 281.96557 160.0
[M-H]- 257.96907 151.8
[M+NH4]+ 277.01017 168.4
[M+K]+ 297.93951 146.1
[M+H-H2O]+ 241.97361 148.4
[M+HCOO]- 303.97455 159.2
[M+CH3COO]- 317.99020 161.3
[M+Na-2H]- 279.95102 154.1
[M]+ 258.97580 164.0
[M]- 258.97690 164.0
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.