CID 3006809

(2,4,6-trichlorophenyl) n-(4-methylsulfonylphenyl)carbamate

Structural Information

Molecular Formula
C14H10Cl3NO4S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)NC(=O)OC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl3NO4S/c1-23(20,21)10-4-2-9(3-5-10)18-14(19)22-13-11(16)6-8(15)7-12(13)17/h2-7H,1H3,(H,18,19)
InChIKey
GMRKBGHUEOZXFL-UHFFFAOYSA-N
Compound name
(2,4,6-trichlorophenyl) N-(4-methylsulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.9396 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.94688 177.8
[M+Na]+ 415.92882 188.1
[M-H]- 391.93232 184.4
[M+NH4]+ 410.97342 191.4
[M+K]+ 431.90276 182.0
[M+H-H2O]+ 375.93686 173.7
[M+HCOO]- 437.93780 182.1
[M+CH3COO]- 451.95345 213.8
[M+Na-2H]- 413.91427 179.0
[M]+ 392.93905 185.8
[M]- 392.94015 185.8
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

No patent data available for this compound.