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

42
Patents

348.85992 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.86720 144.7
[M+Na]+ 371.84914 151.4
[M-H]- 347.85264 143.1
[M+NH4]+ 366.89374 160.6
[M+K]+ 387.82308 145.2
[M+H-H2O]+ 331.85718 141.2
[M+HCOO]- 393.85812 159.4
[M+CH3COO]- 407.87377 155.7
[M+Na-2H]- 369.83459 142.8
[M]+ 348.85937 159.2
[M]- 348.86047 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