CID 14448366

8-bromo-7-(bromomethyl)quinoline

Structural Information

Molecular Formula
C10H7Br2N
SMILES
C1=CC2=C(C(=C(C=C2)CBr)Br)N=C1
InChI
InChI=1S/C10H7Br2N/c11-6-8-4-3-7-2-1-5-13-10(7)9(8)12/h1-5H,6H2
InChIKey
OVWPTGHUGUQGID-UHFFFAOYSA-N
Compound name
8-bromo-7-(bromomethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.89453 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.90181 139.1
[M+Na]+ 321.88375 150.8
[M-H]- 297.88725 145.8
[M+NH4]+ 316.92835 158.4
[M+K]+ 337.85769 135.7
[M+H-H2O]+ 281.89179 147.7
[M+HCOO]- 343.89273 154.6
[M+CH3COO]- 357.90838 153.7
[M+Na-2H]- 319.86920 148.8
[M]+ 298.89398 173.6
[M]- 298.89508 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

No patent data available for this compound.