CID 9669521

4-(2-(phenylsulfonyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C20H14Cl2N2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H14Cl2N2O4S/c21-15-8-11-18(19(22)12-15)20(25)28-16-9-6-14(7-10-16)13-23-24-29(26,27)17-4-2-1-3-5-17/h1-13,24H/b23-13+
InChIKey
FYJRUQYAHQCKAB-YDZHTSKRSA-N
Compound name
[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.00513 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.01241 199.8
[M+Na]+ 470.99435 208.2
[M-H]- 446.99785 210.7
[M+NH4]+ 466.03895 210.4
[M+K]+ 486.96829 201.4
[M+H-H2O]+ 431.00239 191.9
[M+HCOO]- 493.00333 211.4
[M+CH3COO]- 507.01898 228.1
[M+Na-2H]- 468.97980 203.1
[M]+ 448.00458 207.6
[M]- 448.00568 207.6
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.