CID 30208

20632-35-3

Structural Information

Molecular Formula
C13H6Cl6N2O
SMILES
C1=C(C=C(C(=C1Cl)NC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H6Cl6N2O/c14-5-1-7(16)11(8(17)2-5)20-13(22)21-12-9(18)3-6(15)4-10(12)19/h1-4H,(H2,20,21,22)
InChIKey
KCPIVZYPHAUCOR-UHFFFAOYSA-N
Compound name
1,3-bis(2,4,6-trichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.8611 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.86838 187.8
[M+Na]+ 438.85032 196.1
[M-H]- 414.85382 186.8
[M+NH4]+ 433.89492 197.8
[M+K]+ 454.82426 191.0
[M+H-H2O]+ 398.85836 184.5
[M+HCOO]- 460.85930 181.7
[M+CH3COO]- 474.87495 224.9
[M+Na-2H]- 436.83577 183.8
[M]+ 415.86055 186.5
[M]- 415.86165 186.5
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

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