CID 39346148

4,8-dibromo-2-methylquinoline

Structural Information

Molecular Formula
C10H7Br2N
SMILES
CC1=CC(=C2C=CC=C(C2=N1)Br)Br
InChI
InChI=1S/C10H7Br2N/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3
InChIKey
ZTIXHNVOIKNFKE-UHFFFAOYSA-N
Compound name
4,8-dibromo-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.89453 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.901806 138.7
[M+Na]+ 321.883748 151.1
[M-H]- 297.887254 145.7
[M+NH4]+ 316.928353 158.2
[M+K]+ 337.857688 136.0
[M+H-H2O]+ 281.891790 147.3
[M+HCOO]- 343.892731 154.2
[M+CH3COO]- 357.908381 153.5
[M+Na-2H]- 319.869196 147.9
[M]+ 298.89398142 173.4
[M]- 298.89507858 173.4
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.