CID 66524402

1219112-85-2

Structural Information

Molecular Formula
C14H9BrClNO
SMILES
C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Br)Cl
InChI
InChI=1S/C14H9BrClNO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2
InChIKey
CMBSFZZHGLVIPB-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-chlorophenyl)-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.9556 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.96288 164.1
[M+Na]+ 343.94482 178.8
[M-H]- 319.94832 173.5
[M+NH4]+ 338.98942 185.0
[M+K]+ 359.91876 164.9
[M+H-H2O]+ 303.95286 164.2
[M+HCOO]- 365.95380 179.9
[M+CH3COO]- 379.96945 179.0
[M+Na-2H]- 341.93027 168.9
[M]+ 320.95505 184.8
[M]- 320.95615 184.8
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

No patent data available for this compound.