CID 5417992

Nsc287559

Structural Information

Molecular Formula
C13H8ClNS
SMILES
C1=CSC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H8ClNS/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h1-8H/b11-8-
InChIKey
QILZWXCJBGPZFH-FLIBITNWSA-N
Compound name
(E)-2-(4-chlorophenyl)-3-thiophen-2-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00659 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01387 149.5
[M+Na]+ 267.99581 162.9
[M+NH4]+ 263.04041 156.1
[M+K]+ 283.96975 151.4
[M-H]- 243.99931 146.6
[M+Na-2H]- 265.98126 155.2
[M]+ 245.00604 150.6
[M]- 245.00714 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.