CID 47003548

2h-chromene-3-sulfonyl chloride

Structural Information

Molecular Formula

C₉H₇ClO₃S

SMILES

C1C(=CC2=CC=CC=C2O1)S(=O)(=O)Cl

InChI

InChI=1S/C9H7ClO3S/c10-14(11,12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2

InChIKey

XGCKSIZJWKXGMW-UHFFFAOYSA-N

Compound name

2H-chromene-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 229.98044 Da
Monoisotopic Mass: 2.0
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]+	230.987716	141.0
[M+Na]+	252.969658	151.5
[M-H]-	228.973164	146.9
[M+NH4]+	248.014263	160.4
[M+K]+	268.943598	148.5
[M+H-H2O]+	212.977700	136.9
[M+HCOO]-	274.978641	153.2
[M+CH3COO]-	288.994291	182.8
[M+Na-2H]-	250.955106	149.2
[M]+	229.97989142	146.0
[M]-	229.98098858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe