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 139.5
[M+Na]+ 234.98002 151.5
[M-H]- 210.98352 142.1
[M+NH4]+ 230.02462 159.3
[M+K]+ 250.95396 145.1
[M+H-H2O]+ 194.98806 134.6
[M+HCOO]- 256.98900 153.3
[M+CH3COO]- 271.00465 152.9
[M+Na-2H]- 232.96547 146.8
[M]+ 211.99025 141.3
[M]- 211.99135 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.