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]+ 359.99556 174.2
[M+Na]+ 381.97750 183.4
[M-H]- 357.98100 179.3
[M+NH4]+ 377.02210 188.4
[M+K]+ 397.95144 177.2
[M+H-H2O]+ 341.98554 168.8
[M+HCOO]- 403.98648 184.1
[M+CH3COO]- 418.00213 210.9
[M+Na-2H]- 379.96295 176.6
[M]+ 358.98773 180.8
[M]- 358.98883 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.