CID 57472173

139542-32-8

Structural Information

Molecular Formula
C13H15Cl3N2O3
SMILES
CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)NC=O
InChI
InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)
InChIKey
RHDVQZWCBQXOJW-UHFFFAOYSA-N
Compound name
N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

352.01483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.02211 175.2
[M+Na]+ 375.00405 183.4
[M-H]- 351.00755 178.6
[M+NH4]+ 370.04865 190.2
[M+K]+ 390.97799 178.5
[M+H-H2O]+ 335.01209 170.9
[M+HCOO]- 397.01303 186.1
[M+CH3COO]- 411.02868 216.6
[M+Na-2H]- 372.98950 175.6
[M]+ 352.01428 182.9
[M]- 352.01538 182.9
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

patents stripe