CID 3033545

73622-83-0

Structural Information

Molecular Formula
C16H10Cl4N2O4
SMILES
C1=CC(=C(C=C1Cl)Cl)OC(=O)N/C=C/NC(=O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H10Cl4N2O4/c17-9-1-3-13(11(19)7-9)25-15(23)21-5-6-22-16(24)26-14-4-2-10(18)8-12(14)20/h1-8H,(H,21,23)(H,22,24)/b6-5+
InChIKey
CEZNHSFLQCAVSO-AATRIKPKSA-N
Compound name
(2,4-dichlorophenyl) N-[(E)-2-[(2,4-dichlorophenoxy)carbonylamino]ethenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.93945 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.946726 189.2
[M+Na]+ 456.928668 197.7
[M-H]- 432.932174 193.1
[M+NH4]+ 451.973273 200.1
[M+K]+ 472.902608 191.7
[M+H-H2O]+ 416.936710 184.7
[M+HCOO]- 478.937651 194.0
[M+CH3COO]- 492.953301 224.1
[M+Na-2H]- 454.914116 188.6
[M]+ 433.93890142 194.8
[M]- 433.93999858 194.8
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.