CID 16413850

1-chloro-4-{[(cinnamoyloxy)imino]methyl}benzene

Structural Information

Molecular Formula
C16H12ClNO2
SMILES
C1=CC=C(C=C1)/C=C\C(=O)O/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H12ClNO2/c17-15-9-6-14(7-10-15)12-18-20-16(19)11-8-13-4-2-1-3-5-13/h1-12H/b11-8-,18-12+
InChIKey
LHYGNEPQWCAIKH-BGWJIYLUSA-N
Compound name
[(E)-(4-chlorophenyl)methylideneamino] (Z)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.05566 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06294 164.0
[M+Na]+ 308.04488 171.8
[M-H]- 284.04838 171.6
[M+NH4]+ 303.08948 180.6
[M+K]+ 324.01882 166.1
[M+H-H2O]+ 268.05292 156.4
[M+HCOO]- 330.05386 185.7
[M+CH3COO]- 344.06951 200.7
[M+Na-2H]- 306.03033 169.3
[M]+ 285.05511 167.4
[M]- 285.05621 167.4
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.