CID 1369

8-anilino-1-naphthalenesulfonic acid

Structural Information

Molecular Formula

C₁₆H₁₃NO₃S

SMILES

C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)

InChIKey

FWEOQOXTVHGIFQ-UHFFFAOYSA-N

Compound name

8-anilinonaphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 926
References: 12240
Patents: 299.0616 Da
Monoisotopic Mass: 3.5
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]+	300.06888	164.3
[M+Na]+	322.05082	178.4
[M+NH4]+	317.09542	172.8
[M+K]+	338.02476	169.3
[M-H]-	298.05432	168.9
[M+Na-2H]-	320.03627	173.5
[M]+	299.06105	168.2
[M]-	299.06215	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe