CID 80430

1-(3,4-dichlorophenyl)-1-hydroxy-3-methylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

233.99628 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.003556 145.5
[M+Na]+ 256.985498 154.5
[M-H]- 232.989004 149.2
[M+NH4]+ 252.030103 164.4
[M+K]+ 272.959438 150.7
[M+H-H2O]+ 216.993540 141.6
[M+HCOO]- 278.994481 161.6
[M+CH3COO]- 293.010131 192.5
[M+Na-2H]- 254.970946 149.7
[M]+ 233.99573142 148.4
[M]- 233.99682858 148.4
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