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 156.8
[M+Na]+ 318.01000 168.1
[M-H]- 294.01350 161.3
[M+NH4]+ 313.05460 177.1
[M+K]+ 333.98394 156.0
[M+H-H2O]+ 278.01804 157.2
[M+HCOO]- 340.01898 171.8
[M+CH3COO]- 354.03463 197.3
[M+Na-2H]- 315.99545 162.5
[M]+ 295.02023 173.9
[M]- 295.02133 173.9
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