CID 3006811

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

Structural Information

Molecular Formula
C15H10Cl5NO4S
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H10Cl5NO4S/c1-2-26(23,24)8-5-3-7(4-6-8)21-15(22)25-14-12(19)10(17)9(16)11(18)13(14)20/h3-6H,2H2,1H3,(H,21,22)
InChIKey
YLTBXVPDZDOJHT-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentachlorophenyl) N-(4-ethylsulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.87732 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.88460 192.2
[M+Na]+ 497.86654 201.5
[M-H]- 473.87004 195.5
[M+NH4]+ 492.91114 202.2
[M+K]+ 513.84048 196.5
[M+H-H2O]+ 457.87458 189.6
[M+HCOO]- 519.87552 185.5
[M+CH3COO]- 533.89117 228.2
[M+Na-2H]- 495.85199 189.1
[M]+ 474.87677 198.3
[M]- 474.87787 198.3
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.