CID 120105

Jzkyswrjgpwvdk-riyzihgnsa-n

Structural Information

Molecular Formula

C₁₃H₁₁NO₄S

SMILES

C1=CC=C2C(=C1)C=CC=C2C=NS(=O)(=O)CC(=O)O

InChI

InChI=1S/C13H11NO4S/c15-13(16)9-19(17,18)14-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H,15,16)

InChIKey

JZKYSWRJGPWVDK-UHFFFAOYSA-N

Compound name

2-(naphthalen-1-ylmethylideneamino)sulfonylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.0409 Da
Monoisotopic Mass: 2.1
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]+	278.048176	158.0
[M+Na]+	300.030118	165.9
[M-H]-	276.033624	162.5
[M+NH4]+	295.074723	175.0
[M+K]+	316.004058	162.1
[M+H-H2O]+	260.038160	151.6
[M+HCOO]-	322.039101	175.9
[M+CH3COO]-	336.054751	196.2
[M+Na-2H]-	298.015566	164.3
[M]+	277.04035142	161.7
[M]-	277.04144858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.