CID 17909556

6-(bromomethyl)isoquinoline hydrobromide

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1=CC2=C(C=CN=C2)C=C1CBr
InChI
InChI=1S/C10H8BrN/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h1-5,7H,6H2
InChIKey
XVWDNBOPLFOYDZ-UHFFFAOYSA-N
Compound name
6-(bromomethyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

220.98401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99129 137.8
[M+Na]+ 243.97323 150.2
[M-H]- 219.97673 143.8
[M+NH4]+ 239.01783 159.7
[M+K]+ 259.94717 138.8
[M+H-H2O]+ 203.98127 137.9
[M+HCOO]- 265.98221 158.4
[M+CH3COO]- 279.99786 153.3
[M+Na-2H]- 241.95868 148.9
[M]+ 220.98346 156.5
[M]- 220.98456 156.5
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