CID 2785131

2,4-dichloroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H4Cl2N2
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)Cl)C#N)Cl
InChI
InChI=1S/C10H4Cl2N2/c11-9-6-3-1-2-4-8(6)14-10(12)7(9)5-13/h1-4H
InChIKey
NYSSRDZZLIOHHI-UHFFFAOYSA-N
Compound name
2,4-dichloroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

221.97516 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.982436 143.7
[M+Na]+ 244.964378 158.2
[M-H]- 220.967884 146.0
[M+NH4]+ 240.008983 161.6
[M+K]+ 260.938318 150.1
[M+H-H2O]+ 204.972420 132.4
[M+HCOO]- 266.973361 154.2
[M+CH3COO]- 280.989011 155.7
[M+Na-2H]- 242.949826 150.4
[M]+ 221.97461142 142.0
[M]- 221.97570858 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

literature stripe

Patent stripe

patents stripe