CID 39346154

4-bromo-2,7,8-trimethylquinoline

Structural Information

Molecular Formula
C12H12BrN
SMILES
CC1=C(C2=NC(=CC(=C2C=C1)Br)C)C
InChI
InChI=1S/C12H12BrN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3
InChIKey
FDEFLDIBSLKLEN-UHFFFAOYSA-N
Compound name
4-bromo-2,7,8-trimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0153 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02258 146.1
[M+Na]+ 272.00452 160.2
[M-H]- 248.00802 152.9
[M+NH4]+ 267.04912 167.9
[M+K]+ 287.97846 148.4
[M+H-H2O]+ 232.01256 146.2
[M+HCOO]- 294.01350 165.9
[M+CH3COO]- 308.02915 194.7
[M+Na-2H]- 269.98997 154.1
[M]+ 249.01475 166.5
[M]- 249.01585 166.5
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

No patent data available for this compound.