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]+ 254.017496 146.4
[M+Na]+ 275.999438 158.8
[M-H]- 252.002944 151.3
[M+NH4]+ 271.044043 168.7
[M+K]+ 291.973378 146.8
[M+H-H2O]+ 236.007480 147.2
[M+HCOO]- 298.008421 162.8
[M+CH3COO]- 312.024071 189.7
[M+Na-2H]- 273.984886 154.3
[M]+ 253.00967142 162.8
[M]- 253.01076858 162.8
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.