CID 82580983

2-bromo-7-methoxy-4-methylquinoline

Structural Information

Molecular Formula
C11H10BrNO
SMILES
CC1=CC(=NC2=C1C=CC(=C2)OC)Br
InChI
InChI=1S/C11H10BrNO/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3
InChIKey
PUMJMPPJYQXQRV-UHFFFAOYSA-N
Compound name
2-bromo-7-methoxy-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.99458 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00186 145.0
[M+Na]+ 273.98380 158.5
[M-H]- 249.98730 151.5
[M+NH4]+ 269.02840 166.2
[M+K]+ 289.95774 147.4
[M+H-H2O]+ 233.99184 144.8
[M+HCOO]- 295.99278 165.3
[M+CH3COO]- 310.00843 192.7
[M+Na-2H]- 271.96925 154.1
[M]+ 250.99403 166.0
[M]- 250.99513 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

No patent data available for this compound.