CID 238983

2-(2,4-dichlorophenoxy)ethyl n-(3-chlorophenyl)carbamate

Structural Information

Molecular Formula
C15H12Cl3NO3
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)OCCOC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H12Cl3NO3/c16-10-2-1-3-12(8-10)19-15(20)22-7-6-21-14-5-4-11(17)9-13(14)18/h1-5,8-9H,6-7H2,(H,19,20)
InChIKey
KXQZQDGNUFBVLQ-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.98828 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.995556 174.2
[M+Na]+ 381.977498 183.4
[M-H]- 357.981004 179.3
[M+NH4]+ 377.022103 188.4
[M+K]+ 397.951438 177.2
[M+H-H2O]+ 341.985540 168.8
[M+HCOO]- 403.986481 184.1
[M+CH3COO]- 418.002131 210.9
[M+Na-2H]- 379.962946 176.6
[M]+ 358.98773142 180.8
[M]- 358.98882858 180.8
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.