CID 53929654

4-bromo-2-(bromomethyl)quinoline

Structural Information

Molecular Formula
C10H7Br2N
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)CBr)Br
InChI
InChI=1S/C10H7Br2N/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-5H,6H2
InChIKey
IQFQZZRNPCQDAS-UHFFFAOYSA-N
Compound name
4-bromo-2-(bromomethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

298.89453 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.901806 139.1
[M+Na]+ 321.883748 150.8
[M-H]- 297.887254 145.8
[M+NH4]+ 316.928353 158.4
[M+K]+ 337.857688 135.7
[M+H-H2O]+ 281.891790 147.7
[M+HCOO]- 343.892731 154.6
[M+CH3COO]- 357.908381 153.7
[M+Na-2H]- 319.869196 148.8
[M]+ 298.89398142 173.6
[M]- 298.89507858 173.6
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