CID 85624313

6-bromo-2,4-dichloroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H3BrCl2N2
SMILES
C1=CC2=C(C=C1Br)C(=C(C(=N2)Cl)C#N)Cl
InChI
InChI=1S/C10H3BrCl2N2/c11-5-1-2-8-6(3-5)9(12)7(4-14)10(13)15-8/h1-3H
InChIKey
NFMFHDSCFZKRNZ-UHFFFAOYSA-N
Compound name
6-bromo-2,4-dichloroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

299.88568 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.89296 148.3
[M+Na]+ 322.87490 166.5
[M-H]- 298.87840 152.3
[M+NH4]+ 317.91950 167.0
[M+K]+ 338.84884 150.6
[M+H-H2O]+ 282.88294 143.0
[M+HCOO]- 344.88388 159.2
[M+CH3COO]- 358.89953 161.9
[M+Na-2H]- 320.86035 155.6
[M]+ 299.88513 163.5
[M]- 299.88623 163.5
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