CID 13152197

5-bromo-8-(bromomethyl)quinoline

Structural Information

Molecular Formula
C10H7Br2N
SMILES
C1=CC2=C(C=CC(=C2N=C1)CBr)Br
InChI
InChI=1S/C10H7Br2N/c11-6-7-3-4-9(12)8-2-1-5-13-10(7)8/h1-5H,6H2
InChIKey
DGMZYNTVOVTLLH-UHFFFAOYSA-N
Compound name
5-bromo-8-(bromomethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

patents stripe