CID 49768087

Schembl4603326

Structural Information

Molecular Formula
C20H14Cl4N2O4S
SMILES
C1=CC(=C(C(=C1)Cl)OC2=C(C=C(C=C2)CC(=O)NC3=C(C=C(C=C3)S(=O)(=O)N)Cl)Cl)Cl
InChI
InChI=1S/C20H14Cl4N2O4S/c21-13-2-1-3-14(22)20(13)30-18-7-4-11(8-16(18)24)9-19(27)26-17-6-5-12(10-15(17)23)31(25,28)29/h1-8,10H,9H2,(H,26,27)(H2,25,28,29)
InChIKey
HLHASSCOEDFSPJ-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-(2,6-dichlorophenoxy)phenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

517.9428 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.95008 207.5
[M+Na]+ 540.93202 216.4
[M-H]- 516.93552 214.5
[M+NH4]+ 535.97662 215.4
[M+K]+ 556.90596 209.9
[M+H-H2O]+ 500.94006 202.3
[M+HCOO]- 562.94100 206.3
[M+CH3COO]- 576.95665 238.3
[M+Na-2H]- 538.91747 205.9
[M]+ 517.94225 214.4
[M]- 517.94335 214.4
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

patents stripe