CID 131871167

6-bromo-4-iodo-1,2-dihydroisoquinolin-1-one

Structural Information

Molecular Formula
C9H5BrINO
SMILES
C1=CC2=C(C=C1Br)C(=CNC2=O)I
InChI
InChI=1S/C9H5BrINO/c10-5-1-2-6-7(3-5)8(11)4-12-9(6)13/h1-4H,(H,12,13)
InChIKey
MFLRUSMQXVXDGS-UHFFFAOYSA-N
Compound name
6-bromo-4-iodo-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

348.85992 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.867196 144.7
[M+Na]+ 371.849138 151.4
[M-H]- 347.852644 143.1
[M+NH4]+ 366.893743 160.6
[M+K]+ 387.823078 145.2
[M+H-H2O]+ 331.857180 141.2
[M+HCOO]- 393.858121 159.4
[M+CH3COO]- 407.873771 155.7
[M+Na-2H]- 369.834586 142.8
[M]+ 348.85937142 159.2
[M]- 348.86046858 159.2
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