CID 738115

129200-98-2

Structural Information

Molecular Formula

C₁₅H₁₀ClNO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)Cl)/C#N

InChI

InChI=1S/C15H10ClNO2S/c16-13-8-6-12(7-9-13)10-15(11-17)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+

InChIKey

XXQWGNZCCQXAFY-XNTDXEJSSA-N

Compound name

(E)-2-(benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.0121 Da
Monoisotopic Mass: 3.7
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]+	304.019376	178.6
[M+Na]+	326.001318	190.2
[M-H]-	302.004824	184.9
[M+NH4]+	321.045923	193.2
[M+K]+	341.975258	182.3
[M+H-H2O]+	286.009360	166.1
[M+HCOO]-	348.010301	188.5
[M+CH3COO]-	362.025951	207.5
[M+Na-2H]-	323.986766	180.3
[M]+	303.01155142	176.7
[M]-	303.01264858	176.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.