CID 18994391

140618-96-8

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃S

SMILES

CN1C(=O)CCC2=C1C=CC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H10ClNO3S/c1-12-9-4-3-8(16(11,14)15)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3

InChIKey

UUBUIICTYLAHAN-UHFFFAOYSA-N

Compound name

1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 259.007 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.014276	150.3
[M+Na]+	281.996218	161.0
[M-H]-	257.999724	154.0
[M+NH4]+	277.040823	168.7
[M+K]+	297.970158	156.3
[M+H-H2O]+	242.004260	145.5
[M+HCOO]-	304.005201	160.1
[M+CH3COO]-	318.020851	190.2
[M+Na-2H]-	279.981666	154.9
[M]+	259.00645142	154.2
[M]-	259.00754858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe