CID 6866

4,7-dichloroquinoline

Structural Information

Molecular Formula
C9H5Cl2N
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)Cl
InChI
InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChIKey
HXEWMTXDBOQQKO-UHFFFAOYSA-N
Compound name
4,7-dichloroquinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

1513
Patents

196.9799 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.98718 133.8
[M+Na]+ 219.96912 145.7
[M-H]- 195.97262 136.6
[M+NH4]+ 215.01372 154.5
[M+K]+ 235.94306 139.8
[M+H-H2O]+ 179.97716 128.8
[M+HCOO]- 241.97810 147.1
[M+CH3COO]- 255.99375 147.7
[M+Na-2H]- 217.95457 142.6
[M]+ 196.97935 136.8
[M]- 196.98045 136.8
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