CID 4295489

1-(2,4-dichlorophenyl)-3-hydroxyurea

Structural Information

Molecular Formula
C7H6Cl2N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=O)NO
InChI
InChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
InChIKey
DJPGEWSKXZZHCC-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-3-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

219.98064 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98792 141.2
[M+Na]+ 242.96986 150.3
[M-H]- 218.97336 143.5
[M+NH4]+ 238.01446 160.0
[M+K]+ 258.94380 145.4
[M+H-H2O]+ 202.97790 137.6
[M+HCOO]- 264.97884 157.0
[M+CH3COO]- 278.99449 186.2
[M+Na-2H]- 240.95531 146.5
[M]+ 219.98009 142.3
[M]- 219.98119 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