CID 110062

Dtxsid8071435

Structural Information

Molecular Formula
C16H11Cl2NO
SMILES
C1=CC=C(C(=C1)C=CC(=O)N=CC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C16H11Cl2NO/c17-14-7-3-1-5-12(14)9-10-16(20)19-11-13-6-2-4-8-15(13)18/h1-11H
InChIKey
UXWYORAMIZMKAZ-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-N-[(2-chlorophenyl)methylidene]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.02176 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.02904 167.4
[M+Na]+ 326.01098 176.7
[M-H]- 302.01448 174.6
[M+NH4]+ 321.05558 184.2
[M+K]+ 341.98492 169.1
[M+H-H2O]+ 286.01902 160.9
[M+HCOO]- 348.01996 183.7
[M+CH3COO]- 362.03561 204.2
[M+Na-2H]- 323.99643 171.1
[M]+ 303.02121 171.2
[M]- 303.02231 171.2
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.