CID 53404072

4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₃S

SMILES

CC1(CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)Cl)C

InChI

InChI=1S/C11H12ClNO3S/c1-11(2)6-10(14)13-9-4-3-7(5-8(9)11)17(12,15)16/h3-5H,6H2,1-2H3,(H,13,14)

InChIKey

GUURRPCXJZJTBL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 273.02264 Da
Monoisotopic Mass: 2.0
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]+	274.029916	153.7
[M+Na]+	296.011858	164.3
[M-H]-	272.015364	156.0
[M+NH4]+	291.056463	172.8
[M+K]+	311.985798	158.9
[M+H-H2O]+	256.019900	149.9
[M+HCOO]-	318.020841	161.7
[M+CH3COO]-	332.036491	190.3
[M+Na-2H]-	293.997306	159.0
[M]+	273.02209142	156.5
[M]-	273.02318858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe