CID 54727983

1148126-03-7

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2Cl)/O
InChI
InChI=1S/C17H13ClN2O2/c1-11(21)15(10-19)17(22)20-13-8-6-12(7-9-13)14-4-2-3-5-16(14)18/h2-9,21H,1H3,(H,20,22)/b15-11-
InChIKey
LPTUTTULCBOUPL-PTNGSMBKSA-N
Compound name
(Z)-N-[4-(2-chlorophenyl)phenyl]-2-cyano-3-hydroxybut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.06656 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 179.1
[M+Na]+ 335.05578 188.1
[M-H]- 311.05928 183.1
[M+NH4]+ 330.10038 191.7
[M+K]+ 351.02972 180.7
[M+H-H2O]+ 295.06382 166.1
[M+HCOO]- 357.06476 192.2
[M+CH3COO]- 371.08041 214.2
[M+Na-2H]- 333.04123 179.0
[M]+ 312.06601 173.8
[M]- 312.06711 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.