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]+ 212.998076 139.5
[M+Na]+ 234.980018 151.5
[M-H]- 210.983524 142.1
[M+NH4]+ 230.024623 159.3
[M+K]+ 250.953958 145.1
[M+H-H2O]+ 194.988060 134.6
[M+HCOO]- 256.989001 153.3
[M+CH3COO]- 271.004651 152.9
[M+Na-2H]- 232.965466 146.8
[M]+ 211.99025142 141.3
[M]- 211.99134858 141.3
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.