CID 3836817

264281-70-1

Structural Information

Molecular Formula
C8H7Cl2N3O2
SMILES
C1=CC(=C(C=C1NC(=O)NC(=O)N)Cl)Cl
InChI
InChI=1S/C8H7Cl2N3O2/c9-5-2-1-4(3-6(5)10)12-8(15)13-7(11)14/h1-3H,(H4,11,12,13,14,15)
InChIKey
XUAFMVHJOMIVRA-UHFFFAOYSA-N
Compound name
1-carbamoyl-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.99153 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99881 150.4
[M+Na]+ 269.98075 158.8
[M-H]- 245.98425 153.6
[M+NH4]+ 265.02535 168.1
[M+K]+ 285.95469 154.2
[M+H-H2O]+ 229.98879 146.2
[M+HCOO]- 291.98973 167.1
[M+CH3COO]- 306.00538 195.5
[M+Na-2H]- 267.96620 153.6
[M]+ 246.99098 150.8
[M]- 246.99208 150.8
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

No patent data available for this compound.