CID 9630473

5-((4-cl-benzoyl)oxy)-2-(2-((4-cl-ph-sulfonyl)carbohydrazonoyl)ph 4-cl-benzoate

Structural Information

Molecular Formula
C27H17Cl3N2O6S
SMILES
C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)/C=N/NS(=O)(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H17Cl3N2O6S/c28-20-6-1-17(2-7-20)26(33)37-23-12-5-19(16-31-32-39(35,36)24-13-10-22(30)11-14-24)25(15-23)38-27(34)18-3-8-21(29)9-4-18/h1-16,32H/b31-16+
InChIKey
JUZGSINCIGURPI-WCMJOSRZSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.9873 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.99458 230.7
[M+Na]+ 624.97652 237.9
[M-H]- 600.98002 243.2
[M+NH4]+ 620.02112 235.1
[M+K]+ 640.95046 232.4
[M+H-H2O]+ 584.98456 221.9
[M+HCOO]- 646.98550 235.7
[M+CH3COO]- 661.00115 253.6
[M+Na-2H]- 622.96197 231.4
[M]+ 601.98675 241.5
[M]- 601.98785 241.5
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.