CID 66560026

6-bromo-7-ethoxy-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
CCOC1=C(C=C2CCC(=O)NC2=C1)Br
InChI
InChI=1S/C11H12BrNO2/c1-2-15-10-6-9-7(5-8(10)12)3-4-11(14)13-9/h5-6H,2-4H2,1H3,(H,13,14)
InChIKey
FWJZBMVSCPUZDY-UHFFFAOYSA-N
Compound name
6-bromo-7-ethoxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00513 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01241 150.9
[M+Na]+ 291.99435 162.0
[M-H]- 267.99785 155.2
[M+NH4]+ 287.03895 170.3
[M+K]+ 307.96829 150.3
[M+H-H2O]+ 252.00239 150.6
[M+HCOO]- 314.00333 167.3
[M+CH3COO]- 328.01898 192.1
[M+Na-2H]- 289.97980 157.5
[M]+ 269.00458 168.1
[M]- 269.00568 168.1
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.