CID 79618

5470-75-7

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

178.02977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 133.0
[M+Na]+ 201.01899 143.8
[M-H]- 177.02249 136.2
[M+NH4]+ 196.06359 153.7
[M+K]+ 216.99293 138.7
[M+H-H2O]+ 161.02703 127.4
[M+HCOO]- 223.02797 152.0
[M+CH3COO]- 237.04362 147.0
[M+Na-2H]- 199.00444 142.1
[M]+ 178.02922 133.4
[M]- 178.03032 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe