CID 4192935

1,1-dimethyl-3-(2,4,5-trichlorophenyl)urea

Structural Information

Molecular Formula
C9H9Cl3N2O
SMILES
CN(C)C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H9Cl3N2O/c1-14(2)9(15)13-8-4-6(11)5(10)3-7(8)12/h3-4H,1-2H3,(H,13,15)
InChIKey
FHQLBWPPPIPNPD-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(2,4,5-trichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.97806 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98534 154.0
[M+Na]+ 288.96728 163.7
[M-H]- 264.97078 157.8
[M+NH4]+ 284.01188 172.5
[M+K]+ 304.94122 159.1
[M+H-H2O]+ 248.97532 150.6
[M+HCOO]- 310.97626 165.4
[M+CH3COO]- 324.99191 202.1
[M+Na-2H]- 286.95273 156.1
[M]+ 265.97751 158.0
[M]- 265.97861 158.0
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

patents stripe