CID 45594303

Chroman-8-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)8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5H,2,4,6H2

InChIKey

ICMATZNLBWDEAR-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-chromene-8-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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