CID 738115

3-(4-chlorophenyl)-2-(phenylsulfonyl)acrylonitrile

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.01938 163.7
[M+Na]+ 326.00132 177.3
[M+NH4]+ 321.04592 168.5
[M+K]+ 341.97526 165.2
[M-H]- 302.00482 159.8
[M+Na-2H]- 323.98677 169.5
[M]+ 303.01155 164.5
[M]- 303.01265 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.