CID 63106141

1092523-03-9

Structural Information

Molecular Formula
C10H10BrNO
SMILES
CN1C(=O)CCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C10H10BrNO/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3
InChIKey
NJZZUBLIVYKUJM-UHFFFAOYSA-N
Compound name
6-bromo-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

238.99458 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 142.5
[M+Na]+ 261.98380 154.8
[M-H]- 237.98730 148.6
[M+NH4]+ 257.02840 164.0
[M+K]+ 277.95774 143.7
[M+H-H2O]+ 221.99184 142.6
[M+HCOO]- 283.99278 160.6
[M+CH3COO]- 298.00843 189.7
[M+Na-2H]- 259.96925 150.3
[M]+ 238.99403 159.9
[M]- 238.99513 159.9
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