CID 3025280

102433-14-7

Structural Information

Molecular Formula
C9H10Cl2N2O2
SMILES
C1=CC(=C(C(=C1)Cl)OCCNC(=O)N)Cl
InChI
InChI=1S/C9H10Cl2N2O2/c10-6-2-1-3-7(11)8(6)15-5-4-13-9(12)14/h1-3H,4-5H2,(H3,12,13,14)
InChIKey
DNGGVVZOBSEDOT-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenoxy)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.01193 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.019206 150.4
[M+Na]+ 271.001148 159.0
[M-H]- 247.004654 153.2
[M+NH4]+ 266.045753 168.4
[M+K]+ 286.975088 154.1
[M+H-H2O]+ 231.009190 146.0
[M+HCOO]- 293.010131 166.4
[M+CH3COO]- 307.025781 194.6
[M+Na-2H]- 268.986596 154.1
[M]+ 248.01138142 153.1
[M]- 248.01247858 153.1
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.