CID 81881363

5-bromo-8-chloroisoquinolin-1-amine

Structural Information

Molecular Formula
C9H6BrClN2
SMILES
C1=CC(=C2C=CN=C(C2=C1Cl)N)Br
InChI
InChI=1S/C9H6BrClN2/c10-6-1-2-7(11)8-5(6)3-4-13-9(8)12/h1-4H,(H2,12,13)
InChIKey
MRANBMMEONLDDA-UHFFFAOYSA-N
Compound name
5-bromo-8-chloroisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.94029 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.947566 142.8
[M+Na]+ 278.929508 157.3
[M-H]- 254.933014 148.8
[M+NH4]+ 273.974113 164.1
[M+K]+ 294.903448 143.6
[M+H-H2O]+ 238.937550 143.1
[M+HCOO]- 300.938491 159.4
[M+CH3COO]- 314.954141 158.2
[M+Na-2H]- 276.914956 151.9
[M]+ 255.93974142 162.1
[M]- 255.94083858 162.1
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

No patent data available for this compound.