CID 52908214

2,6-dichloroquinoline-4-carbonitrile

Structural Information

Molecular Formula
C10H4Cl2N2
SMILES
C1=CC2=C(C=C1Cl)C(=CC(=N2)Cl)C#N
InChI
InChI=1S/C10H4Cl2N2/c11-7-1-2-9-8(4-7)6(5-13)3-10(12)14-9/h1-4H
InChIKey
FARGULUBVYWUNI-UHFFFAOYSA-N
Compound name
2,6-dichloroquinoline-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe