CID 97463

Urea, n-(3,4-dichlorophenyl)-n'-hydroxy-

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

13
Patents

219.98064 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.987916 141.2
[M+Na]+ 242.969858 150.3
[M-H]- 218.973364 143.5
[M+NH4]+ 238.014463 160.0
[M+K]+ 258.943798 145.4
[M+H-H2O]+ 202.977900 137.6
[M+HCOO]- 264.978841 157.0
[M+CH3COO]- 278.994491 186.2
[M+Na-2H]- 240.955306 146.5
[M]+ 219.98009142 142.3
[M]- 219.98118858 142.3
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