CID 384171

3,6-dichloroquinolin-8-amine

Structural Information

Molecular Formula
C9H6Cl2N2
SMILES
C1=C2C=C(C=NC2=C(C=C1Cl)N)Cl
InChI
InChI=1S/C9H6Cl2N2/c10-6-1-5-2-7(11)4-13-9(5)8(12)3-6/h1-4H,12H2
InChIKey
ZNNGHKIUXFCTFO-UHFFFAOYSA-N
Compound name
3,6-dichloroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.9908 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe