CID 10378404

Chaha

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₂S

SMILES

C1=CC(=CC=C1SC/C=C/C=C/C(=O)NO)Cl

InChI

InChI=1S/C12H12ClNO2S/c13-10-5-7-11(8-6-10)17-9-3-1-2-4-12(15)14-16/h1-8,16H,9H2,(H,14,15)/b3-1+,4-2+

InChIKey

PERSSGOZVHZNBC-ZPUQHVIOSA-N

Compound name

(2E,4E)-6-(4-chlorophenyl)sulfanyl-N-hydroxyhexa-2,4-dienamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 269.02774 Da
Monoisotopic Mass: 2.8
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]+	270.03502	159.8
[M+Na]+	292.01696	170.6
[M+NH4]+	287.06156	167.0
[M+K]+	307.99090	161.4
[M-H]-	268.02046	161.0
[M+Na-2H]-	290.00241	164.2
[M]+	269.02719	162.1
[M]-	269.02829	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe