CID 57439900

6-bromo-1-oxo-1,2-dihydroisoquinoline-4-sulfonyl chloride

Structural Information

Molecular Formula
C9H5BrClNO3S
SMILES
C1=CC2=C(C=C1Br)C(=CNC2=O)S(=O)(=O)Cl
InChI
InChI=1S/C9H5BrClNO3S/c10-5-1-2-6-7(3-5)8(16(11,14)15)4-12-9(6)13/h1-4H,(H,12,13)
InChIKey
FTJUXLZAEKFPGR-UHFFFAOYSA-N
Compound name
6-bromo-1-oxo-2H-isoquinoline-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

320.8862 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.89348 145.0
[M+Na]+ 343.87542 150.1
[M+NH4]+ 338.92002 149.5
[M+K]+ 359.84936 149.0
[M-H]- 319.87892 144.4
[M+Na-2H]- 341.86087 148.5
[M]+ 320.88565 145.1
[M]- 320.88675 145.1
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