CID 54727980

(2z)-2-cyano-n-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide

Structural Information

Molecular Formula
C17H12Cl2N2O2
SMILES
C/C(=C(\C#N)/C(=O)NC1=CC(=C(C=C1)C2=CC=CC=C2Cl)Cl)/O
InChI
InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-11-6-7-13(16(19)8-11)12-4-2-3-5-15(12)18/h2-8,22H,1H3,(H,21,23)/b14-10-
InChIKey
DDSLONVJHZPSBB-UVTDQMKNSA-N
Compound name
(Z)-N-[3-chloro-4-(2-chlorophenyl)phenyl]-2-cyano-3-hydroxybut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

346.0276 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03488 175.4
[M+Na]+ 369.01682 188.3
[M+NH4]+ 364.06142 179.2
[M+K]+ 384.99076 178.3
[M-H]- 345.02032 171.5
[M+Na-2H]- 367.00227 179.4
[M]+ 346.02705 175.8
[M]- 346.02815 175.8
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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Patent stripe

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