CID 97463

1-(3,4-dichlorophenyl)-3-hydroxyurea

Structural Information

Molecular Formula
C7H6Cl2N2O2
SMILES
C1=CC(=C(C=C1NC(=O)NO)Cl)Cl
InChI
InChI=1S/C7H6Cl2N2O2/c8-5-2-1-4(3-6(5)9)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
InChIKey
VKYZMAVGJARVPE-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

219.98064 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98792 140.8
[M+Na]+ 242.96986 152.9
[M+NH4]+ 238.01446 148.7
[M+K]+ 258.94380 147.0
[M-H]- 218.97336 142.6
[M+Na-2H]- 240.95531 147.0
[M]+ 219.98009 143.3
[M]- 219.98119 143.3
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