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

4
Patents

233.99628 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00356 145.5
[M+Na]+ 256.98550 154.5
[M-H]- 232.98900 149.2
[M+NH4]+ 252.03010 164.4
[M+K]+ 272.95944 150.7
[M+H-H2O]+ 216.99354 141.6
[M+HCOO]- 278.99448 161.6
[M+CH3COO]- 293.01013 192.5
[M+Na-2H]- 254.97095 149.7
[M]+ 233.99573 148.4
[M]- 233.99683 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