CID 67065

119-40-4

Structural Information

Molecular Formula

C₁₆H₁₃NO₄S

SMILES

C1=CC=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

InChI

InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)

InChIKey

YGNDWDUEMICDLW-UHFFFAOYSA-N

Compound name

7-anilino-4-hydroxynaphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 675
Patents: 315.05652 Da
Monoisotopic Mass: 1.4
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]+	316.06380	167.2
[M+Na]+	338.04574	175.7
[M-H]-	314.04924	172.6
[M+NH4]+	333.09034	181.4
[M+K]+	354.01968	169.9
[M+H-H2O]+	298.05378	160.3
[M+HCOO]-	360.05472	183.1
[M+CH3COO]-	374.07037	200.6
[M+Na-2H]-	336.03119	173.8
[M]+	315.05597	168.7
[M]-	315.05707	168.7

Literature stripe

literature stripe

Patent stripe

patents stripe