CID 12000034

7-bromo-3,4-dihydroisoquinoline

Structural Information

Molecular Formula
C9H8BrN
SMILES
C1CN=CC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H8BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5-6H,3-4H2
InChIKey
YQQLGLRTMLGKDQ-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

208.98401 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99129 135.1
[M+Na]+ 231.97323 146.9
[M-H]- 207.97673 141.0
[M+NH4]+ 227.01783 157.4
[M+K]+ 247.94717 136.0
[M+H-H2O]+ 191.98127 135.3
[M+HCOO]- 253.98221 154.6
[M+CH3COO]- 267.99786 150.5
[M+Na-2H]- 229.95868 145.7
[M]+ 208.98346 152.1
[M]- 208.98456 152.1
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