CID 50988930

6-bromo-2-oxo-1,2,3,4-tetrahydroquinoline-7-sulfonyl chloride

Structural Information

Molecular Formula
C9H7BrClNO3S
SMILES
C1CC(=O)NC2=CC(=C(C=C21)Br)S(=O)(=O)Cl
InChI
InChI=1S/C9H7BrClNO3S/c10-6-3-5-1-2-9(13)12-7(5)4-8(6)16(11,14)15/h3-4H,1-2H2,(H,12,13)
InChIKey
HXFZLMGHEOHXEH-UHFFFAOYSA-N
Compound name
6-bromo-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.90186 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.90914 147.6
[M+Na]+ 345.89108 161.6
[M-H]- 321.89458 152.8
[M+NH4]+ 340.93568 166.7
[M+K]+ 361.86502 147.6
[M+H-H2O]+ 305.89912 149.7
[M+HCOO]- 367.90006 154.9
[M+CH3COO]- 381.91571 194.5
[M+Na-2H]- 343.87653 154.4
[M]+ 322.90131 168.0
[M]- 322.90241 168.0
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.