CID 9579455

2-acetylphenoxathin oxime

Structural Information

Molecular Formula

C₁₄H₁₁NO₂S

SMILES

C/C(=N\O)/C1=CC2=C(C=C1)OC3=CC=CC=C3S2

InChI

InChI=1S/C14H11NO2S/c1-9(15-16)10-6-7-12-14(8-10)18-13-5-3-2-4-11(13)17-12/h2-8,16H,1H3/b15-9+

InChIKey

NGJMFTAPYKJSKQ-OQLLNIDSSA-N

Compound name

(NE)-N-(1-phenoxathiin-2-ylethylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 257.05106 Da
Monoisotopic Mass: 4.5
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]+	258.05834	151.5
[M+Na]+	280.04028	159.8
[M-H]-	256.04378	157.6
[M+NH4]+	275.08488	169.5
[M+K]+	296.01422	156.8
[M+H-H2O]+	240.04832	145.0
[M+HCOO]-	302.04926	167.4
[M+CH3COO]-	316.06491	164.0
[M+Na-2H]-	278.02573	158.9
[M]+	257.05051	153.8
[M]-	257.05161	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe