CID 3018145

1-(2,6-dichlorophenyl)-3-isopropylurea

Structural Information

Molecular Formula
C10H12Cl2N2O
SMILES
CC(C)NC(=O)NC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C10H12Cl2N2O/c1-6(2)13-10(15)14-9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H2,13,14,15)
InChIKey
VMPFTLYFFVBBES-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.03267 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.039946 152.5
[M+Na]+ 269.021888 160.7
[M-H]- 245.025394 155.8
[M+NH4]+ 264.066493 171.0
[M+K]+ 284.995828 155.8
[M+H-H2O]+ 229.029930 148.3
[M+HCOO]- 291.030871 167.7
[M+CH3COO]- 305.046521 196.3
[M+Na-2H]- 267.007336 155.5
[M]+ 246.03212142 154.6
[M]- 246.03321858 154.6
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.