CID 16737939

4-bromo-1-methylindolin-2-one

Structural Information

Molecular Formula
C9H8BrNO
SMILES
CN1C(=O)CC2=C1C=CC=C2Br
InChI
InChI=1S/C9H8BrNO/c1-11-8-4-2-3-7(10)6(8)5-9(11)12/h2-4H,5H2,1H3
InChIKey
YYTXVBYHPIORNO-UHFFFAOYSA-N
Compound name
4-bromo-1-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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

No literature data available for this compound.

Patent stripe

patents stripe