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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.01938 178.6
[M+Na]+ 326.00132 190.2
[M-H]- 302.00482 184.9
[M+NH4]+ 321.04592 193.2
[M+K]+ 341.97526 182.3
[M+H-H2O]+ 286.00936 166.1
[M+HCOO]- 348.01030 188.5
[M+CH3COO]- 362.02595 207.5
[M+Na-2H]- 323.98677 180.3
[M]+ 303.01155 176.7
[M]- 303.01265 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.