CID 109713

68189-32-2

Structural Information

Molecular Formula

C₁₂H₁₁NO₄S

SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H11NO4S/c1-8(14)13-11-4-2-10-7-12(18(15,16)17)5-3-9(10)6-11/h2-7H,1H3,(H,13,14)(H,15,16,17)

InChIKey

ANUPUAXCNMXHNF-UHFFFAOYSA-N

Compound name

6-acetamidonaphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 265.0409 Da
Monoisotopic Mass: -0.2
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]+	266.04818	154.0
[M+Na]+	288.03012	162.5
[M-H]-	264.03362	157.7
[M+NH4]+	283.07472	171.2
[M+K]+	304.00406	158.7
[M+H-H2O]+	248.03816	148.3
[M+HCOO]-	310.03910	170.5
[M+CH3COO]-	324.05475	192.9
[M+Na-2H]-	286.01557	159.9
[M]+	265.04035	156.8
[M]-	265.04145	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe