CID 76176

Urea, n,n'-dichloro-n,n'-bis(2,4,6-trichlorophenyl)-

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

4
References

20
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

literature stripe

Patent stripe

patents stripe