CID 155970454

2639447-53-1

Structural Information

Molecular Formula
C11H7BrClNO2
SMILES
COC(=O)C1=NC2=C(C(=CC=C2)Br)C(=C1)Cl
InChI
InChI=1S/C11H7BrClNO2/c1-16-11(15)9-5-7(13)10-6(12)3-2-4-8(10)14-9/h2-5H,1H3
InChIKey
WLHIOSIOVIWXAB-UHFFFAOYSA-N
Compound name
methyl 5-bromo-4-chloroquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.93488 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.94216 151.3
[M+Na]+ 321.92410 157.4
[M+NH4]+ 316.96870 156.5
[M+K]+ 337.89804 156.2
[M-H]- 297.92760 152.1
[M+Na-2H]- 319.90955 155.3
[M]+ 298.93433 151.6
[M]- 298.93543 151.6
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.