CID 24267858

Chroman-6-sulfonyl chloride

Structural Information

Molecular Formula

C₉H₉ClO₃S

SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)Cl)OC1

InChI

InChI=1S/C9H9ClO3S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2

InChIKey

YWWYZRQBPOAOMS-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-chromene-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 231.9961 Da
Monoisotopic Mass: 2.3
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]+	233.00338	144.1
[M+Na]+	254.98532	157.5
[M+NH4]+	250.02992	153.5
[M+K]+	270.95926	149.5
[M-H]-	230.98882	147.3
[M+Na-2H]-	252.97077	149.7
[M]+	231.99555	147.8
[M]-	231.99665	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe