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

1
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

patents stripe