CID 16737939

4-bromo-1-methyl-2-oxindole

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

37
Patents

224.97893 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.986206 140.4
[M+Na]+ 247.968148 154.4
[M-H]- 223.971654 147.1
[M+NH4]+ 243.012753 164.4
[M+K]+ 263.942088 143.4
[M+H-H2O]+ 207.976190 141.1
[M+HCOO]- 269.977131 161.0
[M+CH3COO]- 283.992781 186.5
[M+Na-2H]- 245.953596 147.1
[M]+ 224.97838142 159.5
[M]- 224.97947858 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

No literature data available for this compound.

Patent stripe

patents stripe