CID 11425256

5-bromo-6-methoxy-2-methylquinoline

Structural Information

Molecular Formula
C11H10BrNO
SMILES
CC1=NC2=C(C=C1)C(=C(C=C2)OC)Br
InChI
InChI=1S/C11H10BrNO/c1-7-3-4-8-9(13-7)5-6-10(14-2)11(8)12/h3-6H,1-2H3
InChIKey
UPDXSQFEBOHETE-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

250.99458 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.001856 145.0
[M+Na]+ 273.983798 158.5
[M-H]- 249.987304 151.5
[M+NH4]+ 269.028403 166.2
[M+K]+ 289.957738 147.4
[M+H-H2O]+ 233.991840 144.8
[M+HCOO]- 295.992781 165.3
[M+CH3COO]- 310.008431 192.7
[M+Na-2H]- 271.969246 154.1
[M]+ 250.99403142 166.0
[M]- 250.99512858 166.0
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