CID 4338046

2-chloroethyl n-(2,4,5-trichlorophenyl)carbamate

Structural Information

Molecular Formula
C9H7Cl4NO2
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)OCCCl
InChI
InChI=1S/C9H7Cl4NO2/c10-1-2-16-9(15)14-8-4-6(12)5(11)3-7(8)13/h3-4H,1-2H2,(H,14,15)
InChIKey
BXIFHAVHCAWULU-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(2,4,5-trichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.9231 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.93038 159.7
[M+Na]+ 323.91232 173.2
[M+NH4]+ 318.95692 167.4
[M+K]+ 339.88626 165.4
[M-H]- 299.91582 160.8
[M+Na-2H]- 321.89777 165.2
[M]+ 300.92255 163.0
[M]- 300.92365 163.0
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.