CID 4962209

2-oxo-1,2,3,4-tetrahydro-6-quinolinesulfonylchloride

Structural Information

Molecular Formula
C9H8ClNO3S
SMILES
C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO3S/c10-15(13,14)7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
InChIKey
ICRHXBNAKSHNRD-UHFFFAOYSA-N
Compound name
2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

244.99135 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.998626 146.3
[M+Na]+ 267.980568 156.2
[M-H]- 243.984074 148.5
[M+NH4]+ 263.025173 164.3
[M+K]+ 283.954508 150.8
[M+H-H2O]+ 227.988610 141.9
[M+HCOO]- 289.989551 155.0
[M+CH3COO]- 304.005201 183.6
[M+Na-2H]- 265.966016 151.6
[M]+ 244.99080142 147.6
[M]- 244.99189858 147.6
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