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

138
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 140.4
[M+Na]+ 247.96815 154.4
[M-H]- 223.97165 147.1
[M+NH4]+ 243.01275 164.4
[M+K]+ 263.94209 143.4
[M+H-H2O]+ 207.97619 141.1
[M+HCOO]- 269.97713 161.0
[M+CH3COO]- 283.99278 186.5
[M+Na-2H]- 245.95360 147.1
[M]+ 224.97838 159.5
[M]- 224.97948 159.5
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