CID 52982874

8-bromo-1-chloroisoquinoline

Structural Information

Molecular Formula
C9H5BrClN
SMILES
C1=CC2=C(C(=C1)Br)C(=NC=C2)Cl
InChI
InChI=1S/C9H5BrClN/c10-7-3-1-2-6-4-5-12-9(11)8(6)7/h1-5H
InChIKey
RWBOOZDHIKMEHN-UHFFFAOYSA-N
Compound name
8-bromo-1-chloroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

240.9294 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.93668 138.5
[M+Na]+ 263.91862 145.7
[M+NH4]+ 258.96322 145.4
[M+K]+ 279.89256 143.3
[M-H]- 239.92212 140.6
[M+Na-2H]- 261.90407 144.4
[M]+ 240.92885 139.4
[M]- 240.92995 139.4
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