CID 268081

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

Structural Information

Molecular Formula
C11H14Cl2N2O
SMILES
CC(C)CNC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H14Cl2N2O/c1-7(2)6-14-11(16)15-8-3-4-9(12)10(13)5-8/h3-5,7H,6H2,1-2H3,(H2,14,15,16)
InChIKey
AUCLZOQDOXROKE-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0483 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05558 157.2
[M+Na]+ 283.03752 164.9
[M-H]- 259.04102 160.3
[M+NH4]+ 278.08212 175.1
[M+K]+ 299.01146 159.8
[M+H-H2O]+ 243.04556 152.7
[M+HCOO]- 305.04650 172.0
[M+CH3COO]- 319.06215 199.2
[M+Na-2H]- 281.02297 159.6
[M]+ 260.04775 159.6
[M]- 260.04885 159.6
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.