CID 12085934

5-bromo-3-methyl-2,3-dihydro-1h-indol-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

71
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 141.5
[M+Na]+ 247.96815 154.9
[M-H]- 223.97165 146.8
[M+NH4]+ 243.01275 164.7
[M+K]+ 263.94209 143.1
[M+H-H2O]+ 207.97619 142.3
[M+HCOO]- 269.97713 160.6
[M+CH3COO]- 283.99278 184.1
[M+Na-2H]- 245.95360 147.6
[M]+ 224.97838 158.7
[M]- 224.97948 158.7
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