CID 129962400

6-bromo-1-chloro-4-iodoisoquinoline

Structural Information

Molecular Formula
C9H4BrClIN
SMILES
C1=CC2=C(C=C1Br)C(=CN=C2Cl)I
InChI
InChI=1S/C9H4BrClIN/c10-5-1-2-6-7(3-5)8(12)4-13-9(6)11/h1-4H
InChIKey
ZOSCPBKYCVXMNA-UHFFFAOYSA-N
Compound name
6-bromo-1-chloro-4-iodoisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.82605 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.83333 148.5
[M+Na]+ 389.81527 149.4
[M+NH4]+ 384.85987 151.5
[M+K]+ 405.78921 149.8
[M-H]- 365.81877 145.2
[M+Na-2H]- 387.80072 143.2
[M]+ 366.82550 146.2
[M]- 366.82660 146.2
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

No patent data available for this compound.