CID 3022352

93783-15-4

Structural Information

Molecular Formula

C₈H₄Cl₃NO₃S

SMILES

C1=CC2=C(C=C1S(=O)(=O)Cl)C(C(=O)N2)(Cl)Cl

InChI

InChI=1S/C8H4Cl3NO3S/c9-8(10)5-3-4(16(11,14)15)1-2-6(5)12-7(8)13/h1-3H,(H,12,13)

InChIKey

XXQVRYBFEWKZBM-UHFFFAOYSA-N

Compound name

3,3-dichloro-2-oxo-1H-indole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 298.89774 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]+	299.90502	155.2
[M+Na]+	321.88696	167.9
[M-H]-	297.89046	157.1
[M+NH4]+	316.93156	175.4
[M+K]+	337.86090	161.5
[M+H-H2O]+	281.89500	153.8
[M+HCOO]-	343.89594	156.1
[M+CH3COO]-	357.91159	190.9
[M+Na-2H]-	319.87241	158.4
[M]+	298.89719	159.6
[M]-	298.89829	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe