CID 165663636

2742659-35-2

Structural Information

Molecular Formula
C11H9Br2NO
SMILES
COC1=C(C2=C(C=C1)N=C(C=C2)CBr)Br
InChI
InChI=1S/C11H9Br2NO/c1-15-10-5-4-9-8(11(10)13)3-2-7(6-12)14-9/h2-5H,6H2,1H3
InChIKey
SDDWTPIGBGAMAY-UHFFFAOYSA-N
Compound name
5-bromo-2-(bromomethyl)-6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.9051 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.91238 145.1
[M+Na]+ 351.89432 156.9
[M-H]- 327.89782 151.9
[M+NH4]+ 346.93892 163.6
[M+K]+ 367.86826 142.0
[M+H-H2O]+ 311.90236 153.3
[M+HCOO]- 373.90330 160.4
[M+CH3COO]- 387.91895 208.6
[M+Na-2H]- 349.87977 153.7
[M]+ 328.90455 181.1
[M]- 328.90565 181.1
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.