CID 107577327

4,6-dibromo-5,7-dimethylquinoline

Structural Information

Molecular Formula
C11H9Br2N
SMILES
CC1=CC2=NC=CC(=C2C(=C1Br)C)Br
InChI
InChI=1S/C11H9Br2N/c1-6-5-9-10(7(2)11(6)13)8(12)3-4-14-9/h3-5H,1-2H3
InChIKey
CDUDEVAGTCMXBE-UHFFFAOYSA-N
Compound name
4,6-dibromo-5,7-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.91016 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.91744 142.4
[M+Na]+ 335.89938 155.1
[M-H]- 311.90288 149.5
[M+NH4]+ 330.94398 161.7
[M+K]+ 351.87332 139.7
[M+H-H2O]+ 295.90742 150.9
[M+HCOO]- 357.90836 157.5
[M+CH3COO]- 371.92401 157.1
[M+Na-2H]- 333.88483 150.5
[M]+ 312.90961 177.6
[M]- 312.91071 177.6
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

No patent data available for this compound.