CID 9838392

119205-39-9

Structural Information

Molecular Formula

C₁₄H₁₁NO₃S

SMILES

C1=CC=C(C=C1)C2=CC3=C(N2)C=CC(=C3)S(=O)(=O)O

InChI

InChI=1S/C14H11NO3S/c16-19(17,18)12-6-7-13-11(8-12)9-14(15-13)10-4-2-1-3-5-10/h1-9,15H,(H,16,17,18)

InChIKey

IZNVWIXUMIMNSP-UHFFFAOYSA-N

Compound name

2-phenyl-1H-indole-5-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 76
Patents: 273.04596 Da
Monoisotopic Mass: 2.5
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]+	274.05324	158.4
[M+Na]+	296.03518	172.4
[M+NH4]+	291.07978	166.4
[M+K]+	312.00912	165.9
[M-H]-	272.03868	160.8
[M+Na-2H]-	294.02063	166.1
[M]+	273.04541	161.6
[M]-	273.04651	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe