CID 3006813

(2,3,4,5,6-pentachlorophenyl) n-(4-sulfamoylphenyl)carbamate

Structural Information

Molecular Formula
C13H7Cl5N2O4S
SMILES
C1=CC(=CC=C1NC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C13H7Cl5N2O4S/c14-7-8(15)10(17)12(11(18)9(7)16)24-13(21)20-5-1-3-6(4-2-5)25(19,22)23/h1-4H,(H,20,21)(H2,19,22,23)
InChIKey
OKKGNIJCCXABIQ-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentachlorophenyl) N-(4-sulfamoylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

461.8569 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.86418 189.7
[M+Na]+ 484.84612 198.8
[M-H]- 460.84962 192.6
[M+NH4]+ 479.89072 199.5
[M+K]+ 500.82006 193.9
[M+H-H2O]+ 444.85416 187.5
[M+HCOO]- 506.85510 183.9
[M+CH3COO]- 520.87075 227.3
[M+Na-2H]- 482.83157 186.9
[M]+ 461.85635 193.7
[M]- 461.85745 193.7
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.