CID 3049622

Crl 40,475

Structural Information

Molecular Formula

C₁₃H₁₃NO₃S

SMILES

C1=CC=C2C(=C1)C=CC=C2CS(=O)CC(=O)NO

InChI

InChI=1S/C13H13NO3S/c15-13(14-16)9-18(17)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,16H,8-9H2,(H,14,15)

InChIKey

GPGSPHQIKPMPEM-UHFFFAOYSA-N

Compound name

N-hydroxy-2-(naphthalen-1-ylmethylsulfinyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 263.0616 Da
Monoisotopic Mass: 1.2
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]+	264.068876	155.1
[M+Na]+	286.050818	161.6
[M-H]-	262.054324	158.1
[M+NH4]+	281.095423	172.1
[M+K]+	302.024758	157.6
[M+H-H2O]+	246.058860	148.7
[M+HCOO]-	308.059801	171.5
[M+CH3COO]-	322.075451	193.7
[M+Na-2H]-	284.036266	159.0
[M]+	263.06105142	156.9
[M]-	263.06214858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe