CID 94711

7-chloroquinolin-4-amine

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)N
InChI
InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
InChIKey
NDRZSRWMMUGOBP-UHFFFAOYSA-N
Compound name
7-chloroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

53
References

249
Patents

178.02977 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe