CID 1475957

139520-94-8

Structural Information

Molecular Formula
C12H15Cl3N2O2
SMILES
CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N
InChI
InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)
InChIKey
MPNJTIZLDHWBFX-UHFFFAOYSA-N
Compound name
1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7
Patents

324.0199 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.02718 169.8
[M+Na]+ 347.00912 178.2
[M-H]- 323.01262 172.7
[M+NH4]+ 342.05372 185.7
[M+K]+ 362.98306 173.1
[M+H-H2O]+ 307.01716 165.8
[M+HCOO]- 369.01810 179.9
[M+CH3COO]- 383.03375 212.6
[M+Na-2H]- 344.99457 169.5
[M]+ 324.01935 175.5
[M]- 324.02045 175.5
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