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]+ 250.022576 146.1
[M+Na]+ 272.004518 160.2
[M-H]- 248.008024 152.9
[M+NH4]+ 267.049123 167.9
[M+K]+ 287.978458 148.4
[M+H-H2O]+ 232.012560 146.2
[M+HCOO]- 294.013501 165.9
[M+CH3COO]- 308.029151 194.7
[M+Na-2H]- 269.989966 154.1
[M]+ 249.01475142 166.5
[M]- 249.01584858 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.