CID 112712

Einecs 264-399-5

Structural Information

Molecular Formula
C17H14Cl5N3O2
SMILES
CCOC(=O)C=C(NC1=C(C=C(C=C1)Cl)Cl)NNC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C17H14Cl5N3O2/c1-2-27-16(26)8-15(23-14-4-3-9(18)5-11(14)20)24-25-17-12(21)6-10(19)7-13(17)22/h3-8,23-25H,2H2,1H3
InChIKey
XAGJZZOIBJUNOJ-UHFFFAOYSA-N
Compound name
ethyl 3-(2,4-dichloroanilino)-3-[2-(2,4,6-trichlorophenyl)hydrazinyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.95285 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.96013 201.3
[M+Na]+ 489.94207 208.2
[M-H]- 465.94557 202.5
[M+NH4]+ 484.98667 210.1
[M+K]+ 505.91601 201.9
[M+H-H2O]+ 449.95011 197.1
[M+HCOO]- 511.95105 200.4
[M+CH3COO]- 525.96670 235.3
[M+Na-2H]- 487.92752 197.7
[M]+ 466.95230 203.5
[M]- 466.95340 203.5
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.