CID 102319875

1-(2-hydroxy-3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C7H6Cl2N2O2
SMILES
C1=CC(=C(C(=C1NC(=O)N)O)Cl)Cl
InChI
InChI=1S/C7H6Cl2N2O2/c8-3-1-2-4(11-7(10)13)6(12)5(3)9/h1-2,12H,(H3,10,11,13)
InChIKey
DBSMGWUPMQZKHI-UHFFFAOYSA-N
Compound name
(3,4-dichloro-2-hydroxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.98064 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.987916 141.4
[M+Na]+ 242.969858 151.4
[M-H]- 218.973364 143.6
[M+NH4]+ 238.014463 160.2
[M+K]+ 258.943798 146.2
[M+H-H2O]+ 202.977900 138.1
[M+HCOO]- 264.978841 156.6
[M+CH3COO]- 278.994491 187.5
[M+Na-2H]- 240.955306 145.0
[M]+ 219.98009142 142.0
[M]- 219.98118858 142.0
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

No patent data available for this compound.