CID 53418201

5,7-dichloroisoquinolin-3-amine

Structural Information

Molecular Formula
C9H6Cl2N2
SMILES
C1=C(C=C(C2=CC(=NC=C21)N)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2/c10-6-1-5-4-13-9(12)3-7(5)8(11)2-6/h1-4H,(H2,12,13)
InChIKey
ZVISXTMHTMHOSD-UHFFFAOYSA-N
Compound name
5,7-dichloroisoquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.9908 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99808 138.7
[M+Na]+ 234.98002 155.4
[M+NH4]+ 230.02462 149.1
[M+K]+ 250.95396 146.5
[M-H]- 210.98352 142.5
[M+Na-2H]- 232.96547 147.2
[M]+ 211.99025 142.9
[M]- 211.99135 142.9
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.