CID 464792

173908-48-0

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O₂S

SMILES

C1=CC=C2C(=C1)C=CN2S(=O)(=O)C3=C(C=CC(=C3)N)Cl

InChI

InChI=1S/C14H11ClN2O2S/c15-12-6-5-11(16)9-14(12)20(18,19)17-8-7-10-3-1-2-4-13(10)17/h1-9H,16H2

InChIKey

MQUMCKWSVIPCBU-UHFFFAOYSA-N

Compound name

4-chloro-3-indol-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 306.02298 Da
Monoisotopic Mass: 3.2
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]+	307.03026	167.1
[M+Na]+	329.01220	179.9
[M-H]-	305.01570	174.7
[M+NH4]+	324.05680	185.0
[M+K]+	344.98614	173.0
[M+H-H2O]+	289.02024	161.3
[M+HCOO]-	351.02118	182.2
[M+CH3COO]-	365.03683	180.1
[M+Na-2H]-	326.99765	171.5
[M]+	306.02243	172.8
[M]-	306.02353	172.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.