CID 12085934

5-bromo-3-methylindolin-2-one

Structural Information

Molecular Formula
C9H8BrNO
SMILES
CC1C2=C(C=CC(=C2)Br)NC1=O
InChI
InChI=1S/C9H8BrNO/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,1H3,(H,11,12)
InChIKey
PKOFFHLFYJVUMQ-UHFFFAOYSA-N
Compound name
5-bromo-3-methyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

224.97893 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 143.7
[M+Na]+ 247.96815 146.9
[M+NH4]+ 243.01275 148.8
[M+K]+ 263.94209 148.0
[M-H]- 223.97165 143.6
[M+Na-2H]- 245.95360 145.3
[M]+ 224.97838 142.8
[M]- 224.97948 142.8
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

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