CID 2735833

10543-42-7

Structural Information

Molecular Formula

C₉H₅ClO₄S

SMILES

C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)Cl

InChI

InChI=1S/C9H5ClO4S/c10-15(12,13)7-2-3-8-6(5-7)1-4-9(11)14-8/h1-5H

InChIKey

HQIPMBGUDSOVEA-UHFFFAOYSA-N

Compound name

2-oxochromene-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 77
Patents: 243.9597 Da
Monoisotopic Mass: 1.4
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]+	244.96698	142.2
[M+Na]+	266.94892	154.7
[M-H]-	242.95242	148.9
[M+NH4]+	261.99352	161.2
[M+K]+	282.92286	151.5
[M+H-H2O]+	226.95696	138.1
[M+HCOO]-	288.95790	156.1
[M+CH3COO]-	302.97355	185.0
[M+Na-2H]-	264.93437	150.8
[M]+	243.95915	149.8
[M]-	243.96025	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe