CID 268315

3-bromo-1-methyl-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CN1C2=CC=CC=C2C=C(C1=O)Br
InChI
InChI=1S/C10H8BrNO/c1-12-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-6H,1H3
InChIKey
FSLMLEUYCWVPBN-UHFFFAOYSA-N
Compound name
3-bromo-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

236.97893 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 139.0
[M+Na]+ 259.96815 153.2
[M-H]- 235.97165 145.7
[M+NH4]+ 255.01275 160.8
[M+K]+ 275.94209 141.8
[M+H-H2O]+ 219.97619 139.1
[M+HCOO]- 281.97713 159.8
[M+CH3COO]- 295.99278 189.2
[M+Na-2H]- 257.95360 148.7
[M]+ 236.97838 159.0
[M]- 236.97948 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe