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 146.4
[M+Na]+ 275.99944 158.8
[M-H]- 252.00294 151.3
[M+NH4]+ 271.04404 168.7
[M+K]+ 291.97338 146.8
[M+H-H2O]+ 236.00748 147.2
[M+HCOO]- 298.00842 162.8
[M+CH3COO]- 312.02407 189.7
[M+Na-2H]- 273.98489 154.3
[M]+ 253.00967 162.8
[M]- 253.01077 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.