CID 2773289

6-bromooxindole

Structural Information

Molecular Formula
C8H6BrNO
SMILES
C1C2=C(C=C(C=C2)Br)NC1=O
InChI
InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKey
JARRYVQFBQVOBE-UHFFFAOYSA-N
Compound name
6-bromo-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

825
Patents

210.96329 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97057 139.7
[M+Na]+ 233.95251 142.7
[M+NH4]+ 228.99711 144.9
[M+K]+ 249.92645 143.8
[M-H]- 209.95601 139.5
[M+Na-2H]- 231.93796 141.7
[M]+ 210.96274 138.7
[M]- 210.96384 138.7
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