CID 45054883

478276-75-4

Structural Information

Molecular Formula
C22H15Cl3N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2Cl)OC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H15Cl3N2O4/c1-30-20-10-13(12-26-27-21(28)15-4-2-3-5-16(15)23)6-9-19(20)31-22(29)14-7-8-17(24)18(25)11-14/h2-12H,1H3,(H,27,28)/b26-12+
InChIKey
XWHSJDMBNCINRF-RPPGKUMJSA-N
Compound name
[4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.00974 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.017016 206.1
[M+Na]+ 498.998958 214.8
[M-H]- 475.002464 215.5
[M+NH4]+ 494.043563 215.7
[M+K]+ 514.972898 208.6
[M+H-H2O]+ 459.007000 198.2
[M+HCOO]- 521.007941 216.9
[M+CH3COO]- 535.023591 237.1
[M+Na-2H]- 496.984406 205.7
[M]+ 476.00919142 214.6
[M]- 476.01028858 214.6
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.