CID 2432666

5-bromo-1-methyl-2-oxoindoline

Structural Information

Molecular Formula
C9H8BrNO
SMILES
CN1C(=O)CC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H8BrNO/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3
InChIKey
WARSUKBSFLACOI-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

133
Patents

224.97893 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 142.7
[M+Na]+ 247.96815 146.4
[M+NH4]+ 243.01275 148.2
[M+K]+ 263.94209 147.3
[M-H]- 223.97165 143.1
[M+Na-2H]- 245.95360 144.9
[M]+ 224.97838 142.1
[M]- 224.97948 142.1
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