CID 4407794

1-(3,4-dichlorophenyl)-3-isopropylurea

Structural Information

Molecular Formula
C10H12Cl2N2O
SMILES
CC(C)NC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H12Cl2N2O/c1-6(2)13-10(15)14-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H2,13,14,15)
InChIKey
RZQPXSLCCNNRHE-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.03267 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03995 151.8
[M+Na]+ 269.02189 164.0
[M+NH4]+ 264.06649 160.0
[M+K]+ 284.99583 157.3
[M-H]- 245.02539 154.4
[M+Na-2H]- 267.00734 157.9
[M]+ 246.03212 154.7
[M]- 246.03322 154.7
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