CID 88919700

1392286-50-8

Structural Information

Molecular Formula
C13H14BrNO2
SMILES
CC1(CC(=O)NC2=C1C=CC(=C2)C(=O)CBr)C
InChI
InChI=1S/C13H14BrNO2/c1-13(2)6-12(17)15-10-5-8(11(16)7-14)3-4-9(10)13/h3-5H,6-7H2,1-2H3,(H,15,17)
InChIKey
VOZAKXYVWXBECN-UHFFFAOYSA-N
Compound name
7-(2-bromoacetyl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

295.02078 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02806 157.8
[M+Na]+ 318.01000 160.6
[M+NH4]+ 313.05460 163.1
[M+K]+ 333.98394 159.0
[M-H]- 294.01350 157.4
[M+Na-2H]- 315.99545 160.2
[M]+ 295.02023 156.9
[M]- 295.02133 156.9
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