CID 146082408

2-bromo-4-(propan-2-yl)quinoline

Structural Information

Molecular Formula
C12H12BrN
SMILES
CC(C)C1=CC(=NC2=CC=CC=C21)Br
InChI
InChI=1S/C12H12BrN/c1-8(2)10-7-12(13)14-11-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKey
CCSZZTXBIKUIAB-UHFFFAOYSA-N
Compound name
2-bromo-4-propan-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0153 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02258 147.4
[M+Na]+ 272.00452 159.5
[M-H]- 248.00802 153.5
[M+NH4]+ 267.04912 168.5
[M+K]+ 287.97846 148.1
[M+H-H2O]+ 232.01256 147.2
[M+HCOO]- 294.01350 166.3
[M+CH3COO]- 308.02915 193.3
[M+Na-2H]- 269.98997 155.5
[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.