CID 3006818

(2,3,4,5,6-pentachlorophenyl) n-[4-(cyclohexylsulfamoyl)phenyl]carbamate

Structural Information

Molecular Formula
C19H17Cl5N2O4S
SMILES
C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C19H17Cl5N2O4S/c20-13-14(21)16(23)18(17(24)15(13)22)30-19(27)25-10-6-8-12(9-7-10)31(28,29)26-11-4-2-1-3-5-11/h6-9,11,26H,1-5H2,(H,25,27)
InChIKey
XDASYHLUQFXRSJ-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentachlorophenyl) N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

543.9352 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.94248 210.4
[M+Na]+ 566.92442 216.1
[M-H]- 542.92792 214.9
[M+NH4]+ 561.96902 217.0
[M+K]+ 582.89836 211.4
[M+H-H2O]+ 526.93246 206.3
[M+HCOO]- 588.93340 201.2
[M+CH3COO]- 602.94905 240.4
[M+Na-2H]- 564.90987 206.4
[M]+ 543.93465 212.5
[M]- 543.93575 212.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.