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]+ 250.022576 147.4
[M+Na]+ 272.004518 159.5
[M-H]- 248.008024 153.5
[M+NH4]+ 267.049123 168.5
[M+K]+ 287.978458 148.1
[M+H-H2O]+ 232.012560 147.2
[M+HCOO]- 294.013501 166.3
[M+CH3COO]- 308.029151 193.3
[M+Na-2H]- 269.989966 155.5
[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.