CID 24702017

4,6-dichloroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H4Cl2N2
SMILES
C1=CC2=NC=C(C(=C2C=C1Cl)Cl)C#N
InChI
InChI=1S/C10H4Cl2N2/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-3,5H
InChIKey
JTWDDTWMLBDQNM-UHFFFAOYSA-N
Compound name
4,6-dichloroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.97516 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98244 143.7
[M+Na]+ 244.96438 158.2
[M-H]- 220.96788 146.0
[M+NH4]+ 240.00898 161.6
[M+K]+ 260.93832 150.1
[M+H-H2O]+ 204.97242 132.4
[M+HCOO]- 266.97336 154.2
[M+CH3COO]- 280.98901 155.7
[M+Na-2H]- 242.94983 150.4
[M]+ 221.97461 142.0
[M]- 221.97571 142.0
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