CID 5758602

(4-chloro-benzenesulfonyl)-((4-chloro-phenyl)-hydrazono)-acetic acid ethyl ester

Structural Information

Molecular Formula
C16H14Cl2N2O4S
SMILES
CCOC(=O)/C(=N\NC1=CC=C(C=C1)Cl)/S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H14Cl2N2O4S/c1-2-24-16(21)15(20-19-13-7-3-11(17)4-8-13)25(22,23)14-9-5-12(18)6-10-14/h3-10,19H,2H2,1H3/b20-15+
InChIKey
ZXKHBXPQXJFMSB-HMMYKYKNSA-N
Compound name
ethyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-(4-chlorophenyl)sulfonylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.00513 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.01241 186.4
[M+Na]+ 422.99435 194.2
[M-H]- 398.99785 194.4
[M+NH4]+ 418.03895 199.3
[M+K]+ 438.96829 188.5
[M+H-H2O]+ 383.00239 180.2
[M+HCOO]- 445.00333 197.0
[M+CH3COO]- 459.01898 218.7
[M+Na-2H]- 420.97980 188.7
[M]+ 400.00458 193.9
[M]- 400.00568 193.9
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.