CID 16769849

503469-97-4

Structural Information

Molecular Formula

C₉H₆ClNO₄S

SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H6ClNO4S/c1-11-8(12)6-3-2-5(16(10,14)15)4-7(6)9(11)13/h2-4H,1H3

InChIKey

RNFAQXYDTSREKC-UHFFFAOYSA-N

Compound name

2-methyl-1,3-dioxoisoindole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 258.9706 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]+	259.97788	153.0
[M+Na]+	281.95982	165.2
[M+NH4]+	277.00442	160.2
[M+K]+	297.93376	160.0
[M-H]-	257.96332	152.3
[M+Na-2H]-	279.94527	155.9
[M]+	258.97005	155.1
[M]-	258.97115	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe