CID 54051871

1-(6-hydroxy-3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C7H6Cl2N2O2
SMILES
C1=C(C(=CC(=C1Cl)Cl)O)NC(=O)N
InChI
InChI=1S/C7H6Cl2N2O2/c8-3-1-5(11-7(10)13)6(12)2-4(3)9/h1-2,12H,(H3,10,11,13)
InChIKey
LTLMFUVNODZCNC-UHFFFAOYSA-N
Compound name
(4,5-dichloro-2-hydroxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.98064 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98792 141.4
[M+Na]+ 242.96986 151.4
[M-H]- 218.97336 143.6
[M+NH4]+ 238.01446 160.2
[M+K]+ 258.94380 146.2
[M+H-H2O]+ 202.97790 138.1
[M+HCOO]- 264.97884 156.6
[M+CH3COO]- 278.99449 187.5
[M+Na-2H]- 240.95531 145.0
[M]+ 219.98009 142.0
[M]- 219.98119 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.