CID 10729255

7-bromo-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CNCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
InChIKey
OYODEQFZAJVROF-UHFFFAOYSA-N
Compound name
7-bromo-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

582
Patents

210.99966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 137.0
[M+Na]+ 233.98888 141.0
[M+NH4]+ 229.03348 143.2
[M+K]+ 249.96282 139.8
[M-H]- 209.99238 138.2
[M+Na-2H]- 231.97433 140.8
[M]+ 210.99911 136.8
[M]- 211.00021 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe