CID 19780718

131880-56-3

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃S

SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)Cl)NC1=O)C

InChI

InChI=1S/C10H10ClNO3S/c1-10(2)7-5-6(16(11,14)15)3-4-8(7)12-9(10)13/h3-5H,1-2H3,(H,12,13)

InChIKey

ZSQGKDCXTIYZSF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 259.007 Da
Monoisotopic Mass: 1.7
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]+	260.014276	151.9
[M+Na]+	281.996218	164.2
[M-H]-	257.999724	155.1
[M+NH4]+	277.040823	173.7
[M+K]+	297.970158	158.8
[M+H-H2O]+	242.004260	149.1
[M+HCOO]-	304.005201	162.5
[M+CH3COO]-	318.020851	186.8
[M+Na-2H]-	279.981666	156.1
[M]+	259.00645142	156.6
[M]-	259.00754858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe