CID 224487

(2,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C7H6Cl2N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=O)N
InChI
InChI=1S/C7H6Cl2N2O/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
YEEUHNXDHIYZOE-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

203.98572 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.992996 139.0
[M+Na]+ 226.974938 148.6
[M-H]- 202.978444 142.1
[M+NH4]+ 222.019543 158.8
[M+K]+ 242.948878 143.6
[M+H-H2O]+ 186.982980 135.2
[M+HCOO]- 248.983921 155.4
[M+CH3COO]- 262.999571 186.6
[M+Na-2H]- 224.960386 143.6
[M]+ 203.98517142 139.6
[M]- 203.98626858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe