CID 22051131

5-(bromomethyl)isoquinoline hydrobromide

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1=CC2=C(C=CN=C2)C(=C1)CBr
InChI
InChI=1S/C10H8BrN/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H,6H2
InChIKey
YDGUDRWCJOVQRC-UHFFFAOYSA-N
Compound name
5-(bromomethyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

220.98401 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99129 137.0
[M+Na]+ 243.97323 143.0
[M+NH4]+ 239.01783 143.5
[M+K]+ 259.94717 141.0
[M-H]- 219.97673 139.0
[M+Na-2H]- 241.95868 142.8
[M]+ 220.98346 137.4
[M]- 220.98456 137.4
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