CID 96568

1-(2-chloroethyl)-3-(2,5-dichlorophenyl)urea

Structural Information

Molecular Formula
C9H9Cl3N2O
SMILES
C1=CC(=C(C=C1Cl)NC(=O)NCCCl)Cl
InChI
InChI=1S/C9H9Cl3N2O/c10-3-4-13-9(15)14-8-5-6(11)1-2-7(8)12/h1-2,5H,3-4H2,(H2,13,14,15)
InChIKey
MXJGICZYDBJGGY-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2,5-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.97806 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98534 154.5
[M+Na]+ 288.96728 163.2
[M-H]- 264.97078 156.5
[M+NH4]+ 284.01188 172.0
[M+K]+ 304.94122 157.1
[M+H-H2O]+ 248.97532 151.0
[M+HCOO]- 310.97626 165.3
[M+CH3COO]- 324.99191 197.7
[M+Na-2H]- 286.95273 157.9
[M]+ 265.97751 156.8
[M]- 265.97861 156.8
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.