CID 121217760

3-(bromomethyl)-2-methoxyquinoline

Structural Information

Molecular Formula
C11H10BrNO
SMILES
COC1=NC2=CC=CC=C2C=C1CBr
InChI
InChI=1S/C11H10BrNO/c1-14-11-9(7-12)6-8-4-2-3-5-10(8)13-11/h2-6H,7H2,1H3
InChIKey
VUXQXAVSVBZLAF-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

250.99458 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00186 145.3
[M+Na]+ 273.98380 157.9
[M-H]- 249.98730 151.4
[M+NH4]+ 269.02840 166.3
[M+K]+ 289.95774 146.8
[M+H-H2O]+ 233.99184 145.0
[M+HCOO]- 295.99278 165.6
[M+CH3COO]- 310.00843 191.6
[M+Na-2H]- 271.96925 155.1
[M]+ 250.99403 165.9
[M]- 250.99513 165.9
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