CID 45599455

7-bromo-2,8-dimethylquinoline

Structural Information

Molecular Formula
C11H10BrN
SMILES
CC1=NC2=C(C=C1)C=CC(=C2C)Br
InChI
InChI=1S/C11H10BrN/c1-7-3-4-9-5-6-10(12)8(2)11(9)13-7/h3-6H,1-2H3
InChIKey
AQDJLDMULIKQQR-UHFFFAOYSA-N
Compound name
7-bromo-2,8-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

234.99966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00694 141.9
[M+Na]+ 257.98888 155.6
[M-H]- 233.99238 148.5
[M+NH4]+ 253.03348 163.9
[M+K]+ 273.96282 144.0
[M+H-H2O]+ 217.99692 142.0
[M+HCOO]- 279.99786 162.0
[M+CH3COO]- 294.01351 157.7
[M+Na-2H]- 255.97433 151.1
[M]+ 234.99911 161.6
[M]- 235.00021 161.6
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

patents stripe