CID 97301466

5-bromo-3,4-dihydroisoquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

208.98401 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.991286 135.1
[M+Na]+ 231.973228 146.9
[M-H]- 207.976734 141.0
[M+NH4]+ 227.017833 157.4
[M+K]+ 247.947168 136.0
[M+H-H2O]+ 191.981270 135.3
[M+HCOO]- 253.982211 154.6
[M+CH3COO]- 267.997861 150.5
[M+Na-2H]- 229.958676 145.7
[M]+ 208.98346142 152.1
[M]- 208.98455858 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

No literature data available for this compound.

Patent stripe

patents stripe