CID 12441890

17356-61-5

Structural Information

Molecular Formula
C8H8Cl2N2O2
SMILES
CONC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2O2/c1-14-12-8(13)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
InChIKey
QDSJDNUSIBDVMS-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-methoxyurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

233.99628 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00356 145.7
[M+Na]+ 256.98550 154.8
[M-H]- 232.98900 149.2
[M+NH4]+ 252.03010 164.6
[M+K]+ 272.95944 150.5
[M+H-H2O]+ 216.99354 141.5
[M+HCOO]- 278.99448 162.7
[M+CH3COO]- 293.01013 191.6
[M+Na-2H]- 254.97095 151.0
[M]+ 233.99573 149.0
[M]- 233.99683 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe