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]+ 300.892956 148.3
[M+Na]+ 322.874898 166.5
[M-H]- 298.878404 152.3
[M+NH4]+ 317.919503 167.0
[M+K]+ 338.848838 150.6
[M+H-H2O]+ 282.882940 143.0
[M+HCOO]- 344.883881 159.2
[M+CH3COO]- 358.899531 161.9
[M+Na-2H]- 320.860346 155.6
[M]+ 299.88513142 163.5
[M]- 299.88622858 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