CID 39346139

4-bromo-6-ethoxy-2-methylquinoline

Structural Information

Molecular Formula
C12H12BrNO
SMILES
CCOC1=CC2=C(C=C(N=C2C=C1)C)Br
InChI
InChI=1S/C12H12BrNO/c1-3-15-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3
InChIKey
HWNKSJFISFTFTO-UHFFFAOYSA-N
Compound name
4-bromo-6-ethoxy-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.01022 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.01750 149.7
[M+Na]+ 287.99944 162.8
[M-H]- 264.00294 156.0
[M+NH4]+ 283.04404 170.4
[M+K]+ 303.97338 151.4
[M+H-H2O]+ 248.00748 149.3
[M+HCOO]- 310.00842 169.6
[M+CH3COO]- 324.02407 195.5
[M+Na-2H]- 285.98489 158.3
[M]+ 265.00967 171.0
[M]- 265.01077 171.0
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.