CID 4062073

1-allyl-3-(3,5-dichlorophenyl)urea

Structural Information

Molecular Formula
C10H10Cl2N2O
SMILES
C=CCNC(=O)NC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2O/c1-2-3-13-10(15)14-9-5-7(11)4-8(12)6-9/h2,4-6H,1,3H2,(H2,13,14,15)
InChIKey
YKCKWOQEAZKDJC-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.01701 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02429 151.8
[M+Na]+ 267.00623 160.5
[M-H]- 243.00973 154.9
[M+NH4]+ 262.05083 170.3
[M+K]+ 282.98017 154.5
[M+H-H2O]+ 227.01427 147.4
[M+HCOO]- 289.01521 168.0
[M+CH3COO]- 303.03086 194.6
[M+Na-2H]- 264.99168 155.8
[M]+ 244.01646 153.7
[M]- 244.01756 153.7
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