CID 53465709

Methyl 6-bromoquinoline-3-carboxylate

Structural Information

Molecular Formula
C11H8BrNO2
SMILES
COC(=O)C1=CN=C2C=CC(=CC2=C1)Br
InChI
InChI=1S/C11H8BrNO2/c1-15-11(14)8-4-7-5-9(12)2-3-10(7)13-6-8/h2-6H,1H3
InChIKey
CXRJGHYVBAPYRL-UHFFFAOYSA-N
Compound name
methyl 6-bromoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

264.97385 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98113 147.1
[M+Na]+ 287.96307 159.6
[M-H]- 263.96657 153.4
[M+NH4]+ 283.00767 167.4
[M+K]+ 303.93701 149.0
[M+H-H2O]+ 247.97111 146.7
[M+HCOO]- 309.97205 166.8
[M+CH3COO]- 323.98770 192.9
[M+Na-2H]- 285.94852 155.8
[M]+ 264.97330 167.8
[M]- 264.97440 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe