CID 3574807

74863-82-4

Structural Information

Molecular Formula

C₁₀H₈ClNO₂S

SMILES

CC1=CC2=C(C(=CC=C2)S(=O)(=O)Cl)N=C1

InChI

InChI=1S/C10H8ClNO2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-6H,1H3

InChIKey

XCMAYGDQKTWICK-UHFFFAOYSA-N

Compound name

3-methylquinoline-8-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 174
Patents: 240.99643 Da
Monoisotopic Mass: 2.2
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]+	242.00371	145.9
[M+Na]+	263.98565	157.8
[M-H]-	239.98915	150.1
[M+NH4]+	259.03025	165.1
[M+K]+	279.95959	152.7
[M+H-H2O]+	223.99369	140.9
[M+HCOO]-	285.99463	158.2
[M+CH3COO]-	300.01028	187.1
[M+Na-2H]-	261.97110	152.7
[M]+	240.99588	151.4
[M]-	240.99698	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe