CID 613324

2-bromo-3-(bromomethyl)quinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

298.89453 Da
Monoisotopic Mass

3.8
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

literature stripe

Patent stripe

patents stripe