CID 2763190

4-bromo-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C8H6BrNO
SMILES
C1C2=C(C=CC=C2Br)NC1=O
InChI
InChI=1S/C8H6BrNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey
XQQPPAZTHUEMPF-UHFFFAOYSA-N
Compound name
4-bromo-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

210.96329 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.970566 137.2
[M+Na]+ 233.952508 150.2
[M-H]- 209.956014 142.3
[M+NH4]+ 228.997113 160.7
[M+K]+ 249.926448 138.6
[M+H-H2O]+ 193.960550 138.0
[M+HCOO]- 255.961491 156.7
[M+CH3COO]- 269.977141 152.7
[M+Na-2H]- 231.937956 144.6
[M]+ 210.96274142 153.8
[M]- 210.96383858 153.8
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

patents stripe