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]+ 434.94673 189.2
[M+Na]+ 456.92867 197.7
[M-H]- 432.93217 193.1
[M+NH4]+ 451.97327 200.1
[M+K]+ 472.90261 191.7
[M+H-H2O]+ 416.93671 184.7
[M+HCOO]- 478.93765 194.0
[M+CH3COO]- 492.95330 224.1
[M+Na-2H]- 454.91412 188.6
[M]+ 433.93890 194.8
[M]- 433.94000 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.