CID 121605635

3-bromo-5-chloro-6-methoxyquinoline

Structural Information

Molecular Formula
C10H7BrClNO
SMILES
COC1=C(C2=C(C=C1)N=CC(=C2)Br)Cl
InChI
InChI=1S/C10H7BrClNO/c1-14-9-3-2-8-7(10(9)12)4-6(11)5-13-8/h2-5H,1H3
InChIKey
QKEPLGZIKVJWNG-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.93994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.947216 145.0
[M+Na]+ 293.929158 159.9
[M-H]- 269.932664 151.4
[M+NH4]+ 288.973763 166.3
[M+K]+ 309.903098 147.2
[M+H-H2O]+ 253.937200 145.6
[M+HCOO]- 315.938141 161.2
[M+CH3COO]- 329.953791 160.7
[M+Na-2H]- 291.914606 154.3
[M]+ 270.93939142 167.5
[M]- 270.94048858 167.5
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.