CID 922964

N-(3-chlorophenyl)-3-(2-thienyl)-2-propenamide

Structural Information

Molecular Formula
C13H10ClNOS
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)/C=C/C2=CC=CS2
InChI
InChI=1S/C13H10ClNOS/c14-10-3-1-4-11(9-10)15-13(16)7-6-12-5-2-8-17-12/h1-9H,(H,15,16)/b7-6+
InChIKey
MWVQLAJQDOPOLP-VOTSOKGWSA-N
Compound name
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.01715 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02443 158.2
[M+Na]+ 286.00637 170.9
[M+NH4]+ 281.05097 167.5
[M+K]+ 301.98031 162.4
[M-H]- 262.00987 162.6
[M+Na-2H]- 283.99182 165.8
[M]+ 263.01660 162.0
[M]- 263.01770 162.0
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.