CID 3006814

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

Structural Information

Molecular Formula
C15H11Cl5N2O4S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl5N2O4S/c1-22(2)27(24,25)8-5-3-7(4-6-8)21-15(23)26-14-12(19)10(17)9(16)11(18)13(14)20/h3-6H,1-2H3,(H,21,23)
InChIKey
YQXWNCIBPFEFCE-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentachlorophenyl) N-[4-(dimethylsulfamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

489.8882 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.89548 196.4
[M+Na]+ 512.87742 204.9
[M-H]- 488.88092 200.8
[M+NH4]+ 507.92202 206.0
[M+K]+ 528.85136 201.1
[M+H-H2O]+ 472.88546 193.5
[M+HCOO]- 534.88640 191.1
[M+CH3COO]- 548.90205 235.4
[M+Na-2H]- 510.86287 193.3
[M]+ 489.88765 203.3
[M]- 489.88875 203.3
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.