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
2
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 183.3
[M+Na]+ 369.01682 193.6
[M-H]- 345.02032 187.1
[M+NH4]+ 364.06142 195.5
[M+K]+ 384.99076 185.1
[M+H-H2O]+ 329.02486 171.6
[M+HCOO]- 391.02580 192.1
[M+CH3COO]- 405.04145 219.0
[M+Na-2H]- 367.00227 182.1
[M]+ 346.02705 179.9
[M]- 346.02815 179.9
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.