CID 46739191

Methyl 8-bromo-4-chloroquinoline-2-carboxylate

Structural Information

Molecular Formula
C11H7BrClNO2
SMILES
COC(=O)C1=NC2=C(C=CC=C2Br)C(=C1)Cl
InChI
InChI=1S/C11H7BrClNO2/c1-16-11(15)9-5-8(13)6-3-2-4-7(12)10(6)14-9/h2-5H,1H3
InChIKey
MRNWDAGFVWSOAL-UHFFFAOYSA-N
Compound name
methyl 8-bromo-4-chloroquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 151.0
[M+Na]+ 321.92410 165.3
[M-H]- 297.92760 157.4
[M+NH4]+ 316.96870 171.1
[M+K]+ 337.89804 152.9
[M+H-H2O]+ 281.93214 151.4
[M+HCOO]- 343.93308 166.3
[M+CH3COO]- 357.94873 197.5
[M+Na-2H]- 319.90955 158.8
[M]+ 298.93433 173.9
[M]- 298.93543 173.9
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

patents stripe