CID 53418927

7-chloroisoquinolin-1-amine

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC(=CC2=C1C=CN=C2N)Cl
InChI
InChI=1S/C9H7ClN2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H,(H2,11,12)
InChIKey
DFEHRRKQQUUOEG-UHFFFAOYSA-N
Compound name
7-chloroisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.02977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 132.3
[M+Na]+ 201.01899 148.2
[M+NH4]+ 196.06359 142.7
[M+K]+ 216.99293 139.9
[M-H]- 177.02249 136.4
[M+Na-2H]- 199.00444 141.2
[M]+ 178.02922 136.2
[M]- 178.03032 136.2
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

patents stripe