CID 15550696

Methyl 2-bromoquinoline-4-carboxylate

Structural Information

Molecular Formula
C11H8BrNO2
SMILES
COC(=O)C1=CC(=NC2=CC=CC=C21)Br
InChI
InChI=1S/C11H8BrNO2/c1-15-11(14)8-6-10(12)13-9-5-3-2-4-7(8)9/h2-6H,1H3
InChIKey
HAUMUZZMUBBGQC-UHFFFAOYSA-N
Compound name
methyl 2-bromoquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

264.97385 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98113 145.5
[M+Na]+ 287.96307 150.5
[M+NH4]+ 283.00767 150.5
[M+K]+ 303.93701 150.0
[M-H]- 263.96657 146.2
[M+Na-2H]- 285.94852 149.6
[M]+ 264.97330 145.3
[M]- 264.97440 145.3
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