CID 5901075

3-phenyl-n-(2,4,6-trichlorophenyl)acrylamide

Structural Information

Molecular Formula
C15H10Cl3NO
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C15H10Cl3NO/c16-11-8-12(17)15(13(18)9-11)19-14(20)7-6-10-4-2-1-3-5-10/h1-9H,(H,19,20)/b7-6+
InChIKey
CXHYCBMCRQKTNA-VOTSOKGWSA-N
Compound name
(E)-3-phenyl-N-(2,4,6-trichlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.9828 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99008 169.3
[M+Na]+ 347.97202 178.9
[M-H]- 323.97552 174.1
[M+NH4]+ 343.01662 184.7
[M+K]+ 363.94596 170.8
[M+H-H2O]+ 307.98006 164.2
[M+HCOO]- 369.98100 178.8
[M+CH3COO]- 383.99665 206.2
[M+Na-2H]- 345.95747 171.3
[M]+ 324.98225 172.3
[M]- 324.98335 172.3
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.