CID 76176

N,n'-dichlorobis(2,4,6-trichlorophenyl)urea

Structural Information

Molecular Formula
C13H4Cl8N2O
SMILES
C1=C(C=C(C(=C1Cl)N(C(=O)N(C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H4Cl8N2O/c14-5-1-7(16)11(8(17)2-5)22(20)13(24)23(21)12-9(18)3-6(15)4-10(12)19/h1-4H
InChIKey
PQPYGYHIBMHXPC-UHFFFAOYSA-N
Compound name
1,3-dichloro-1,3-bis(2,4,6-trichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

24
Patents

483.78317 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.79045 204.8
[M+Na]+ 506.77239 209.4
[M-H]- 482.77589 200.2
[M+NH4]+ 501.81699 210.6
[M+K]+ 522.74633 209.0
[M+H-H2O]+ 466.78043 200.8
[M+HCOO]- 528.78137 189.9
[M+CH3COO]- 542.79702 238.6
[M+Na-2H]- 504.75784 195.4
[M]+ 483.78262 199.2
[M]- 483.78372 199.2
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.