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
1
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]+ 247.03995 152.5
[M+Na]+ 269.02189 160.7
[M-H]- 245.02539 155.8
[M+NH4]+ 264.06649 171.0
[M+K]+ 284.99583 155.8
[M+H-H2O]+ 229.02993 148.3
[M+HCOO]- 291.03087 167.7
[M+CH3COO]- 305.04652 196.3
[M+Na-2H]- 267.00734 155.5
[M]+ 246.03212 154.6
[M]- 246.03322 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.