CID 87033

2,6-dichlorophenethylurea

Structural Information

Molecular Formula
C9H10Cl2N2O
SMILES
C1=CC(=C(C(=C1)Cl)CCNC(=O)N)Cl
InChI
InChI=1S/C9H10Cl2N2O/c10-7-2-1-3-8(11)6(7)4-5-13-9(12)14/h1-3H,4-5H2,(H3,12,13,14)
InChIKey
WHCIYAMCNYHKDJ-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01701 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02429 148.2
[M+Na]+ 255.00623 156.9
[M-H]- 231.00973 150.9
[M+NH4]+ 250.05083 166.9
[M+K]+ 270.98017 151.4
[M+H-H2O]+ 215.01427 144.0
[M+HCOO]- 277.01521 163.9
[M+CH3COO]- 291.03086 192.5
[M+Na-2H]- 252.99168 151.8
[M]+ 232.01646 149.5
[M]- 232.01756 149.5
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.