CID 124705052

1823876-48-7

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CC1(CC(=O)NC2=C1C(=CC=C2)Br)C
InChI
InChI=1S/C11H12BrNO/c1-11(2)6-9(14)13-8-5-3-4-7(12)10(8)11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
AQOCWOFUUFTYKS-UHFFFAOYSA-N
Compound name
5-bromo-4,4-dimethyl-1,3-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01022 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 148.1
[M+Na]+ 275.99944 152.1
[M+NH4]+ 271.04404 154.6
[M+K]+ 291.97338 149.7
[M-H]- 252.00294 148.7
[M+Na-2H]- 273.98489 151.8
[M]+ 253.00967 147.8
[M]- 253.01077 147.8
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.