CID 75357403

1181714-73-7

Structural Information

Molecular Formula

C₁₀H₈ClNO₃S

SMILES

CC1=CC2=C(C=CC(=C2)S(=O)(=O)Cl)NC1=O

InChI

InChI=1S/C10H8ClNO3S/c1-6-4-7-5-8(16(11,14)15)2-3-9(7)12-10(6)13/h2-5H,1H3,(H,12,13)

InChIKey

PTAXFVRHTAHJDN-UHFFFAOYSA-N

Compound name

3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 256.99133 Da
Monoisotopic Mass: 1.7
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]+	257.99861	148.5
[M+Na]+	279.98055	160.9
[M-H]-	255.98405	151.7
[M+NH4]+	275.02515	166.5
[M+K]+	295.95449	154.8
[M+H-H2O]+	239.98859	144.0
[M+HCOO]-	301.98953	159.7
[M+CH3COO]-	316.00518	187.1
[M+Na-2H]-	277.96600	154.5
[M]+	256.99078	153.4
[M]-	256.99188	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe