CID 308739

2-phthalimidoethanesulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₈ClNO₄S

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCS(=O)(=O)Cl

InChI

InChI=1S/C10H8ClNO4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2

InChIKey

HCPVYBCAYPMANM-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 675
Patents: 272.98627 Da
Monoisotopic Mass: 1.6
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]+	273.99355	157.0
[M+Na]+	295.97549	168.7
[M+NH4]+	291.02009	164.0
[M+K]+	311.94943	163.1
[M-H]-	271.97899	156.3
[M+Na-2H]-	293.96094	159.9
[M]+	272.98572	159.0
[M]-	272.98682	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe